|
6901 |
DB08607 |
experimental |
(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE |
441.54 |
|
[H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O |
|
6902 |
DB08608 |
experimental |
4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE |
383.37 |
|
[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N |
|
6903 |
DB08609 |
experimental |
(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide |
430.44 |
|
[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1 |
|
6904 |
DB08610 |
experimental |
N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE |
360.88 |
|
CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1 |
|
6905 |
DB08611 |
experimental |
2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL |
268.23 |
|
OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1 |
|
6906 |
DB08612 |
experimental |
1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE |
256.33 |
|
CCCCCCCCSCC(=O)C(F)(F)F |
|
6907 |
DB08613 |
experimental |
2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL |
423.41 |
|
OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F |
|
6908 |
DB08614 |
experimental |
3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE |
488.48 |
|
[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F |
|
6909 |
DB08615 |
experimental |
2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM |
285.38 |
|
CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1 |
|
6910 |
DB08617 |
experimental |
4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE |
247.21 |
|
[H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O |
|
6911 |
DB08618 |
experimental |
3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER |
339.32 |
|
[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)O[P@](O)(=O)C1=CC=CC=C1 |
|
6912 |
DB08619 |
experimental |
Testosterone succinate |
388.50 |
|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O |
|
6913 |
DB08620 |
experimental |
{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide |
252.72 |
|
ClC1=NC=C(CN2CCS\C2=N/C#N)C=C1 |
|
6914 |
DB08621 |
experimental; investigational |
Thiamphenicol |
356.22 |
|
[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)S(C)(=O)=O |
|
6915 |
DB08622 |
experimental |
4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL |
452.05 |
|
OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
|
6916 |
DB08623 |
experimental |
2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID |
354.40 |
|
[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)C1=N[C@]([H])(C(O)=O)C(=C)CS1 |
|
6917 |
DB08624 |
experimental |
1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
291.37 |
|
N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1 |
|
6918 |
DB08626 |
experimental |
Thiorphan |
253.32 |
|
[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O |
|
6919 |
DB08627 |
experimental |
(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE |
224.32 |
|
C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)=C1O |
|
6920 |
DB08628 |
experimental |
(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE |
196.27 |
|
CC1=C(O)[C@](C)(SC1=O)\C=C\C=C |
|
6921 |
DB08629 |
experimental |
N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE |
225.37 |
|
[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H] |
|
6922 |
DB08631 |
experimental |
N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE |
322.81 |
|
ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1 |
|
6923 |
DB08632 |
experimental |
1,3,5-BENZENETRICARBOXYLIC ACID |
210.14 |
|
OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
|
6924 |
DB08633 |
investigational |
TNP-470 |
401.88 |
|
[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl |
|
6925 |
DB08634 |
experimental |
6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL |
364.44 |
|
CC(C)C1=C(CC2=CC=CC=C2)N(COCC2=CC=CC=C2)C(=O)NC1=O |
|
6926 |
DB08635 |
experimental |
N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID |
354.40 |
|
CN(CCCCC(O)=O)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1 |
|
6927 |
DB08636 |
experimental |
2-Hydroxybenzalpyruvate |
192.17 |
|
OC(=O)C(=O)\C=C\C1=CC=CC=C1O |
|
6928 |
DB08637 |
experimental |
4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID |
206.20 |
|
[H]\C(=C(/[H])C1=CC=CC=C1OC)C(=O)C(O)=O |
|
6929 |
DB08638 |
experimental |
2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL |
236.22 |
|
[H][C@](N)(CC1=CN(OO)C2=CC=CC=C12)C(O)=O |
|
6930 |
DB08639 |
investigational |
Dapivirine |
329.40 |
|
CC1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1 |
|
6931 |
DB08640 |
experimental |
(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID |
313.37 |
|
[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O |
|
6932 |
DB08641 |
experimental |
(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID |
344.34 |
|
[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O |
|
6933 |
DB08642 |
experimental |
(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine |
375.47 |
|
[H][C@]1(CN(C)C2=CC(OC)=C(OC)C(OC)=C2)CCC2=C(C1)C(N)=N[C@]([H])(N)N2 |
|
6934 |
DB08643 |
experimental |
2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER |
457.59 |
|
[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC |
|
6935 |
DB08644 |
experimental |
{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER |
433.56 |
|
[H][C@@](CC)(C=O)[C@@]1([H])N(CC[C@]1([H])NS(C)(=O)=O)C(=O)[C@@]([H])(NC(=O)OC(C)(C)C)C(C)C |
|
6936 |
DB08645 |
experimental |
6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE |
380.66 |
|
[H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl |
|
6937 |
DB08646 |
experimental |
TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL |
310.35 |
|
[H][C@](N)(CC1=CNC2=C1C=CC(NNC1=CC=CC=C1)=C2O)C=O |
|
6938 |
DB08647 |
experimental |
TRAZEOLIDE |
316.44 |
|
[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C |
|
6939 |
DB08648 |
experimental |
(1R,3S,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid |
228.20 |
|
[H][C@@]1(O)C=C[C@]2(C[C@]([H])(O[C@]1([H])C2)C(O)=O)C(O)=O |
|
6940 |
DB08649 |
experimental |
(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL |
176.22 |
|
[H][C@](N)(O)CC1=CNC2=CC=CC=C12 |
|
6941 |
DB08651 |
experimental |
3'-THIO-THYMIDINE-5'-PHOSPHATE |
338.27 |
|
[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O |
|
6942 |
DB08652 |
experimental |
2-(1H-INDOL-3-YL)ACETAMIDE |
174.20 |
|
NC(=O)CC1=CNC2=CC=CC=C12 |
|
6943 |
DB08653 |
experimental |
2-(1H-INDOL-3-YL)ETHANAMINE |
160.22 |
|
NCCC1=CNC2=CC=CC=C12 |
|
6944 |
DB08654 |
experimental |
TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL |
163.22 |
|
[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O |
|
6945 |
DB08655 |
experimental |
9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE |
227.26 |
|
CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2 |
|
6946 |
DB08656 |
experimental |
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide |
304.39 |
|
[H][C@](C)(NC(=O)C1=C(C)C=CC(N)=C1)C1=CC=CC2=C1C=CC=C2 |
|
6947 |
DB08657 |
experimental |
2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID |
482.54 |
|
OC(=O)COC1=CC=C(C=C1)C1=CNC(CNC(=O)NC2=NC=C(SC3=NC=CC=C3)S2)=N1 |
|
6948 |
DB08658 |
experimental |
ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE |
181.17 |
|
CCO[P@](O)(=O)N(CC)CC |
|
6949 |
DB08659 |
experimental |
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide |
330.36 |
|
NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1 |
|
6950 |
DB08660 |
experimental |
1,2,5,8-tetrahydroxyanthracene-9,10-dione |
272.21 |
|
OC1=C(O)C2=C(C=C1)C(=O)C1=C(O)C=CC(O)=C1C2=O |
|
6951 |
DB08661 |
experimental |
1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
295.33 |
|
[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O |
|
6952 |
DB08662 |
experimental |
3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE |
373.24 |
|
[H][C@](C(C)C)(C1=CC=C(Br)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2 |
|
6953 |
DB08663 |
experimental |
4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE |
310.34 |
|
[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=C(OC)C=C2 |
|
6954 |
DB08664 |
experimental |
({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER |
452.50 |
|
[H][C@](CC)(C1=CC=CC(NC(=O)CNC(=O)OC(C)(C)C)=C1)C1=C(O)C2=CC=CC=C2OC1=O |
|
6955 |
DB08665 |
experimental |
6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE |
298.30 |
|
CCN1C2=CC(=CC=C2N(C)C(=O)C2=C1N=CC=C2)[N+]([O-])=O |
|
6956 |
DB08666 |
experimental |
5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine |
268.20 |
|
FC(F)(F)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1 |
|
6957 |
DB08667 |
experimental |
4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine |
218.20 |
|
FC1=CC=C(NN=C2C(=N)N=NC2=N)C=C1 |
|
6958 |
DB08668 |
experimental |
3-(5-Amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid |
244.21 |
|
OC(=O)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1 |
|
6959 |
DB08669 |
experimental |
METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE |
393.48 |
|
[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C)C=C1)C(=O)N[C@]([H])(CC(C)C)C(=O)OC |
|
6960 |
DB08670 |
experimental |
METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE |
421.53 |
|
[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C=C1)C(C)C)C(=O)N[C@]([H])(CC(C)C)C(=O)OC |
|
6961 |
DB08671 |
experimental |
5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine |
268.20 |
|
FC(F)(F)C1=CC=CC=C1NN=C1C(=N)N=NC1=N |
|
6962 |
DB08672 |
experimental |
4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE |
328.38 |
|
[H][C@@](C)(CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1 |
|
6963 |
DB08673 |
experimental |
4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE |
297.40 |
|
CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1 |
|
6964 |
DB08674 |
experimental |
(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE |
435.48 |
|
[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1 |
|
6965 |
DB08675 |
experimental |
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid |
332.48 |
|
[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC |
|
6966 |
DB08676 |
experimental |
(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE |
453.54 |
|
[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3 |
|
6967 |
DB08677 |
experimental |
N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide |
261.34 |
|
[H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C |
|
6968 |
DB08678 |
experimental |
(4-ETHYLPHENYL)SULFAMIC ACID |
201.24 |
|
CCC1=CC=C(NS(O)(=O)=O)C=C1 |
|
6969 |
DB08680 |
experimental |
N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid |
350.86 |
|
CC1=C(C=CO1)C(=S)NC1=CC(\C=N\OC(C)(C)C)=C(Cl)C=C1 |
|
6970 |
DB08681 |
experimental |
1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE |
315.82 |
|
CC(C)OC(=S)NC1=CC(C(=O)OC(C)C)=C(Cl)C=C1 |
|
6971 |
DB08682 |
experimental |
1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE |
355.84 |
|
CC(C)OC(=O)C1=C(Cl)C=CC(NC(=O)C2=C(C)OCCS2)=C1 |
|
6972 |
DB08683 |
experimental |
REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE |
393.39 |
|
[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13 |
|
6973 |
DB08684 |
experimental |
O-Decyl Hydrogen Thiocarbonate |
218.36 |
|
CCCCCCCCCCOC(S)=O |
|
6974 |
DB08685 |
experimental |
1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine |
191.27 |
|
CN1CCN(C)C2=CC(CN)=CC=C12 |
|
6975 |
DB08686 |
experimental |
5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE |
312.40 |
|
[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCCC2)OC1=O |
|
6976 |
DB08687 |
investigational |
FG-2216 |
280.66 |
|
OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1 |
|
6977 |
DB08688 |
experimental |
undecan-2-one |
170.29 |
|
CCCCCCCCCC(C)=O |
|
6978 |
DB08689 |
experimental |
UBIQUINONE-1 |
250.29 |
|
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O |
|
6979 |
DB08690 |
experimental |
UBIQUINONE-2 |
318.41 |
|
COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O |
|
6980 |
DB08691 |
experimental |
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate |
338.19 |
|
CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2 |
|
6981 |
DB08692 |
experimental |
D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid |
258.49 |
|
[H]N(C(C)=O)[C@]([H])(CC1=CC=C(Cl)C=C1)[B-](O)(O)O |
|
6982 |
DB08693 |
experimental |
L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid |
258.49 |
|
[H]N([C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)O)C(C)=O |
|
6983 |
DB08694 |
experimental |
Variolin B |
293.28 |
|
NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12 |
|
6984 |
DB08695 |
experimental |
3-(4-nitrophenyl)-1H-pyrazole |
189.17 |
|
[O-][N+](=O)C1=CC=C(C=C1)C1=NNC=C1 |
|
6985 |
DB08697 |
experimental |
4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide |
401.93 |
|
CC1=CC(=CC(C)=C1OCCN)C(=O)NC1=CC(Cl)=CC(=C1)N1CCCCC1 |
|
6986 |
DB08698 |
experimental |
1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL |
373.47 |
|
[H][C@@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2N=C1N1CC(O)C1)C1=CC=CS1 |
|
6987 |
DB08699 |
experimental |
1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
295.38 |
|
CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1 |
|
6988 |
DB08701 |
experimental |
2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE |
411.25 |
|
OCCNC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C1=CC(Br)=CC=C1 |
|
6989 |
DB08702 |
experimental |
2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID |
308.29 |
|
OC(=O)C1=C(OC(=C1C(O)=O)C1=CC=CC=C1)C1=CC=CC=C1 |
|
6990 |
DB08703 |
experimental |
12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one |
424.49 |
|
CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1 |
|
6991 |
DB08704 |
experimental |
[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate |
395.41 |
|
[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCCC)[C@@]([H])(O)[C@]1([H])O |
|
6992 |
DB08705 |
experimental |
6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE |
367.20 |
|
OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1 |
|
6993 |
DB08706 |
experimental |
(2S)-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid |
374.39 |
|
CCC1=CC=C(O1)\C=C1/SC(N[C@H](C(O)=O)C2=CC=C(F)C=C2)=NC1=O |
|
6994 |
DB08707 |
experimental |
4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine |
322.75 |
|
NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1 |
|
6995 |
DB08708 |
experimental |
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine |
361.36 |
|
FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12 |
|
6996 |
DB08709 |
experimental |
2,3-diphenyl-1H-indole-7-carboxylic acid |
313.35 |
|
OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1 |
|
6997 |
DB08710 |
experimental |
(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-[[(S)-(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]amino]-1,3-thiazol-4-one |
398.41 |
|
CCC1=CC=C(O1)\C=C1/SC(N[C@H](C2=NN=NN2)C2=CC=C(F)C=C2)=NC1=O |
|
6998 |
DB08711 |
experimental |
Methyl vanillate |
182.17 |
|
COC(=O)C1=CC(OC)=C(O)C=C1 |
|
6999 |
DB08712 |
experimental |
11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID |
262.37 |
|
OC(=O)CCCCCCCCCCOC(S)=O |
|
7000 |
DB08713 |
experimental |
2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL |
327.38 |
|
CN1N=NC(=N1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1 |
