 | | D50 | | Name: | N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine | | Formula: | C23 H30 N2 O5 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C | | InChi: | InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1 | | Synonyms: | Bestatin derivative 7d | | Definition date: | 2011-01-11 | | Last modified: | 2021-03-01 | | Identifier: | N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine |
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 | | D65 | | Name: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C14 H12 F7 N5 S | | SMILES: | FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C | | InChi: | InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 | | Synonyms: | DSM265 | | Definition date: | 2014-12-09 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | D66 | | Name: | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine | | Formula: | C17 H26 N2 O5 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C | | InChi: | InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1 | | Synonyms: | Bestatin-derivative 7c | | Definition date: | 2011-01-11 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine |
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 | | D7P | | Name: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | | Formula: | C15 H25 N7 O4 | | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | | Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE | | Definition date: | 2003-12-18 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | | D7S | | Name: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-delta7-dafachronic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid |
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 | | DB7 | | Name: | dibutyl benzene-1,2-dicarboxylate | | Formula: | C16 H22 O4 | | SMILES: | O=C(OCCCC)c1ccccc1C(=O)OCCCC | | InChi: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 | | Synonyms: | Dibutyl phthalate | | Definition date: | 2012-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-02 | | Identifier: | dibutyl benzene-1,2-dicarboxylate |
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 | | 1WO | | Name: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione | | Formula: | C20 H26 O3 | | SMILES: | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C | | InChi: | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 | | Synonyms: | taxodione | | Definition date: | 2014-02-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-02 | | Identifier: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione |
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 | | DBN | | Name: | 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE | | Formula: | C23 H20 N6 S | | SMILES: | n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6 | | InChi: | InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29) | | Synonyms: | DB819 | | Definition date: | 2005-10-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole |
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 | | 006 | | Name: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C35 H41 N3 O6 S | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(cccc3C)C)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1 | | Synonyms: | KNI-10006 | | Definition date: | 2008-07-03 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | DCJ | | Name: | N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM | | Formula: | C14 H18 N5 O5 | | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O | | InChi: | InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1 | | Synonyms: | HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE | | Definition date: | 2012-09-14 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-09 | | Identifier: | N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium |
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 | | DCX | | Name: | DECYL(DIMETHYL)PHOSPHINE OXIDE | | Formula: | C12 H27 O P | | SMILES: | O=P(CCCCCCCCCC)(C)C | | InChi: | InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3 | | Synonyms: | DIMETHYLDECYLPHOSPHINE OXIDE | | Definition date: | 2007-07-25 | | Last modified: | 2021-03-01 | | Identifier: | decyl(dimethyl)phosphane oxide |
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 | | 01K | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | | Formula: | C31 H53 N10 O19 P3 S | | SMILES: | O=C(N)C(NC(=O)C)CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19-,23-,24-,25+,30-/m1/s1 | | Synonyms: | Lysine-COENZYME A derivative | | Definition date: | 2007-12-13 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate |
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 | | DD6 | | Name: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | | Formula: | C40 H54 O3 | | SMILES: | CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C | | InChi: | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | | Synonyms: | Diadinoxanthin | | Definition date: | 2018-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol |
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 | | 02L | | Name: | N-(2,2-dimethylpropyl)-L-asparagine | | Formula: | C9 H18 N2 O3 | | SMILES: | O=C(NCC(C)(C)C)CC(N)C(=O)O | | InChi: | InChI=1S/C9H18N2O3/c1-9(2,3)5-11-7(12)4-6(10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t6-/m0/s1 | | Synonyms: | N-beta-neopentyl asparagine | | Definition date: | 2011-06-17 | | Last modified: | 2021-03-01 | | Identifier: | N-(2,2-dimethylpropyl)-L-asparagine |
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 | | 039 | | Name: | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | | Formula: | C21 H15 Cl N6 O2 S | | SMILES: | Clc2cccc3N=C(N(c1ccccc1OC)C(=O)c23)CSc5ncnc4c5ncn4 | | InChi: | InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26) | | Synonyms: | PIK-39 | | Definition date: | 2006-03-16 | | Last modified: | 2021-03-01 | | Identifier: | 5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-one |
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 | | DF0 | | Name: | (2-fluorobiphenyl-4-yl)acetic acid | | Formula: | C14 H11 F O2 | | SMILES: | Fc2cc(ccc2c1ccccc1)CC(=O)O | | InChi: | InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17) | | Synonyms: | Des-methylflurbiprofen | | Definition date: | 2012-06-29 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2-fluorobiphenyl-4-yl)acetic acid |
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 | | 03G | | Name: | N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Formula: | C17 H24 Cl N3 O2 | | SMILES: | Clc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | Synonyms: | NBD-556 | | Definition date: | 2011-08-24 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
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 | | 03H | | Name: | (2S)-2-chloro-4-methylpentanoic acid | | Formula: | C6 H11 Cl O2 | | SMILES: | ClC(C(=O)O)CC(C)C | | InChi: | InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 | | Synonyms: | (S)-alpha-chloroisocaproate | | Definition date: | 2011-09-28 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-28 | | Identifier: | (2S)-2-chloro-4-methylpentanoic acid |
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 | | 03P | | Name: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | | Formula: | C26 H25 Cl F3 N5 O3 | | SMILES: | FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CC(O)(C)C)ccc4 | | InChi: | InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) | | Synonyms: | TAK-285 | | Definition date: | 2010-11-30 | | Last modified: | 2021-03-01 | | Identifier: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide |
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 | | DFV | | Name: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE | | Formula: | C15 H12 O4 | | SMILES: | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 | | Synonyms: | 5-DEOXYFLAVANONE | | Definition date: | 2000-08-29 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
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 | | 04G | | Name: | 7-hydroxy-3H-phenoxazin-3-one | | Formula: | C12 H7 N O3 | | SMILES: | O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3 | | InChi: | InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H | | Synonyms: | RESORUFIN | | Definition date: | 2011-10-19 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-3H-phenoxazin-3-one |
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 | | 04M | | Name: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid | | Formula: | C26 H35 N O7 S | | SMILES: | O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3 | | InChi: | InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29) | | Synonyms: | BPH-1158 | | Definition date: | 2011-06-16 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid |
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 | | DGB | | Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | | Formula: | C24 H29 N3 O2 | | SMILES: | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 | | InChi: | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ | | Synonyms: | FK-866 | | Definition date: | 2006-03-09 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
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 | | 04W | | Name: | 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid | | Formula: | C24 H31 N O6 | | SMILES: | [O-][N+](=O)c2ccc(OCc1cccc(OCCCCCCCCCC)c1)c(c2)C(=O)O | | InChi: | InChI=1S/C24H31NO6/c1-2-3-4-5-6-7-8-9-15-30-21-12-10-11-19(16-21)18-31-23-14-13-20(25(28)29)17-22(23)24(26)27/h10-14,16-17H,2-9,15,18H2,1H3,(H,26,27) | | Synonyms: | BPH-1186 | | Definition date: | 2011-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid |
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 | | DGJ | | Name: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 | | Synonyms: | 1-deoxygalactonojirimycin | | Definition date: | 2011-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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