 | | OT5 | | Name: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | | Formula: | C25 H28 Cl2 N4 O2 | | SMILES: | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O | | InChi: | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | | Synonyms: | OTSSP167 | | Definition date: | 2014-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-08 | | Identifier: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone |
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 | | 3OG | | Name: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate | | Formula: | C18 H32 O4 | | SMILES: | O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1 | | InChi: | InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1 | | Synonyms: | (5R,6S)-6-acetoy-5-hexadecanolide | | Definition date: | 2010-08-24 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate |
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 | | OTD | | Name: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID | | Formula: | C6 H6 N2 O5 | | SMILES: | O=C(O)C1C=C(C(=O)O)NC(=O)N1 | | InChi: | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 | | Synonyms: | HDDP | | Definition date: | 2007-03-01 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
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 | | D16 | | Name: | TOMUDEX | | Formula: | C21 H22 N4 O6 S | | SMILES: | O=C(c3sc(N(C)Cc2ccc1NC(=NC(=O)c1c2)C)cc3)NC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1 | | Synonyms: | ZD1694 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid |
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 | | D18 | | Name: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | | Formula: | C24 H32 N4 O | | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C | | InChi: | InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+ | | Synonyms: | FURAMIDINE DERIVATIVE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine] |
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 | | D1H | | Name: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | | Formula: | C16 H18 N8 O4 | | SMILES: | O=C2c1n(cnc1N(C(=O)N2CCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C | | InChi: | InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3 | | Synonyms: | 1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE | | Definition date: | 2006-06-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
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 | | 3P8 | | Name: | methylammonium ion | | Formula: | C H6 N | | SMILES: | [NH3+]C | | InChi: | InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 | | Synonyms: | methanaminium | | Definition date: | 2014-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-01 | | Identifier: | methanaminium |
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 | | 3P9 | | Name: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | | Formula: | C9 H20 O4 | | SMILES: | O(C(CO)C)CC(OCC(O)C)C | | InChi: | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 | | Synonyms: | Polypropyleneglycol | | Definition date: | 2014-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-07 | | Identifier: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
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 | | D1N | | Name: | NAPHTHALENE-1,2-DIOL | | Formula: | C10 H8 O2 | | SMILES: | Oc1c2c(ccc1O)cccc2 | | InChi: | InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H | | Synonyms: | 1,2-DIHYDROXYNAPHTHALENE | | Definition date: | 2007-03-15 | | Last modified: | 2020-06-17 | | Identifier: | naphthalene-1,2-diol |
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 | | 3PD | | Name: | 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE | | Definition date: | 2006-04-14 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-3'-guanylic acid |
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 | | 3PH | | Name: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2003-07-09 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
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 | | 3PP | | Name: | 3-PHOSPHONOPROPANOIC ACID | | Formula: | C3 H7 O5 P | | SMILES: | O=C(O)CCP(=O)(O)O | | InChi: | InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) | | Synonyms: | 2-CARBOXYETHYLPHOSPHONIC ACID | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-phosphonopropanoic acid |
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 | | D22 | | Name: | N-octyloctan-1-amine | | Formula: | C16 H35 N | | SMILES: | N(CCCCCCCC)CCCCCCCC | | InChi: | InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3 | | Synonyms: | Dioctylamine | | Definition date: | 2009-05-14 | | Last modified: | 2020-06-17 | | Identifier: | N-octyloctan-1-amine |
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 | | D2A | | Name: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE | | Formula: | C21 H18 N6 | | SMILES: | [N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4 | | InChi: | InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | | Synonyms: | DB921 | | Definition date: | 2005-09-16 | | Last modified: | 2020-06-17 | | Identifier: | 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide |
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 | | 3QB | | Name: | LINCOMYCIN | | Formula: | C18 H34 N2 O6 S | | SMILES: | O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2 | | InChi: | InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | | Synonyms: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | | Definition date: | 2014-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside |
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 | | D2S | | Name: | 4,4'-disulfanediyldibenzene-1,3-diol | | Formula: | C12 H10 O4 S2 | | SMILES: | S(Sc1ccc(O)cc1O)c2ccc(O)cc2O | | InChi: | InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H | | Synonyms: | 4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol | | Definition date: | 2009-08-24 | | Last modified: | 2020-06-17 | | Identifier: | 4,4'-disulfanediyldibenzene-1,3-diol |
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 | | D31 | | Name: | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | | Formula: | C24 H31 N5 O2 | | SMILES: | O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN | | InChi: | InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28) | | Synonyms: | DIN-101312 | | Definition date: | 2005-09-28 | | Last modified: | 2020-06-17 | | Identifier: | 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide |
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 | | D3A | | Name: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic
acid | | Formula: | C29 H31 Cl N2 O6 | | SMILES: | O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5 | | InChi: | InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1 | | Synonyms: | 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet
ic acid | | Definition date: | 2012-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid |
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 | | D3M | | Name: | 3,6-dichloro-2-methoxybenzoic acid | | Formula: | C8 H6 Cl2 O3 | | SMILES: | Clc1ccc(Cl)c(c1OC)C(=O)O | | InChi: | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) | | Synonyms: | Dicamba | | Definition date: | 2009-02-20 | | Last modified: | 2020-06-17 | | Identifier: | 3,6-dichloro-2-methoxybenzoic acid |
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 | | 3S5 | | Name: | Taurocyamine | | Formula: | C3 H9 N3 O3 S | | SMILES: | O=S(=O)(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) | | Synonyms: | 2-carbamimidamidoethanesulfonic acid | | Definition date: | 2014-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | 2-carbamimidamidoethanesulfonic acid |
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 | | 3SL | | Name: | (2R)-3-SULFOLACTIC ACID | | Formula: | C3 H6 O6 S | | SMILES: | O=C(O)C(O)CS(=O)(=O)O | | InChi: | InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | Synonyms: | (R)-2-HYDROXY-3-SULFOPROPANOIC ACID | | Definition date: | 2005-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxy-3-sulfopropanoic acid |
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 | | D4V | | Name: | 3-methylpyridin-2-ol | | Formula: | C6 H7 N O | | SMILES: | c1nc(O)c(cc1)C | | InChi: | InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8) | | Synonyms: | (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER | | Definition date: | 2017-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | 3-methylpyridin-2-ol |
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 | | D54 | | Name: | 4-deoxy-L-threo-hex-5-ulosuronic acid | | Formula: | C6 H8 O6 | | SMILES: | O=CC(O)C(O)CC(=O)C(=O)O | | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1 | | Synonyms: | 5-keto-4-deoxy-D-Galacturonate | | Definition date: | 2011-03-23 | | Last modified: | 2020-06-17 | | Identifier: | 4-deoxy-L-threo-hex-5-ulosuronic acid |
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 | | 3TA | | Name: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi
one | | Formula: | C23 H25 Cl N6 S | | SMILES: | Clc4cc2c(c1nc(ncc1CC(=S)N2)Nc3cc(cnc3C)CCCN(C)C)cc4 | | InChi: | InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29) | | Synonyms: | MLN0905 | | Definition date: | 2011-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione |
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 | | D5G | | Name: | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE | | Formula: | C17 H25 N3 O3 S | | SMILES: | O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C | | InChi: | InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1 | | Synonyms: | SNJ-1715 | | Definition date: | 2006-03-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide |
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