 | | X2W | | Name: | N-ACETYL-L-GLUTAMYL 5-PHOSPHATE | | Formula: | C7 H12 N O8 P | | SMILES: | O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C | | InChi: | InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1 | | Synonyms: | N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE | | Definition date: | 2010-01-18 | | Last modified: | 2021-03-01 | | Identifier: | N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline |
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 | | UT0 | | Name: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | | Formula: | C19 H20 N2 O4 S | | SMILES: | CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O | | InChi: | InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3 | | Synonyms: | UT07C | | Definition date: | 2016-12-09 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-20 | | Identifier: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone |
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 | | UTX | | Name: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | | Formula: | C21 H29 B12 N6 O5 S | | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | | Synonyms: | UTX-97 | | Definition date: | 2016-12-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 |
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 | | S02 | | Name: | PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER | | Formula: | C18 H31 O7 P | | SMILES: | O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2 | | InChi: | InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1 | | Synonyms: | STILBENEDIETHER NUCLEOTIDE LINKER | | Definition date: | 1999-08-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate |
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 | | ZPR | | Name: | N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL | | Formula: | C18 H22 N2 O4 | | SMILES: | O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3 | | InChi: | InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | | Synonyms: | Z-PRO-PROLINAL | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate |
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 | | HBY | | Name: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE | | Formula: | C15 H20 N2 O3 S2 | | SMILES: | S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC | | InChi: | InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1 | | Synonyms: | HBY 097 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate |
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 | | X6K | | Name: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL | | Formula: | C19 H16 N4 O3 | | SMILES: | n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5 | | InChi: | InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | | Synonyms: | PI-103 | | Definition date: | 2010-02-17 | | Last modified: | 2021-03-01 | | Identifier: | 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol |
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 | | HCE | | Name: | {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine | | Formula: | C16 H24 N6 O3 S | | SMILES: | O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1 | | Synonyms: | homocysteine-DADMe-Immucillin-A | | Definition date: | 2012-05-11 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-01 | | Identifier: | {(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine |
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 | | ZAH | | Name: | N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE | | Formula: | C16 H20 N2 O5 | | SMILES: | O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2 | | InChi: | InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1 | | Synonyms: | Z-ALA PROLINAL | | Definition date: | 2005-02-16 | | Last modified: | 2021-03-01 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-L-proline |
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 | | S4E | | Name: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | | Formula: | C24 H30 N6 O3 | | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | | Synonyms: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-01 | | Release date: | 2021-03-03 | | Identifier: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
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 | | HFG | | Name: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one | | Formula: | C16 H17 Br Cl N3 O3 | | SMILES: | Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3 | | InChi: | InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1 | | Synonyms: | Halofuginone | | Definition date: | 2012-11-09 | | Last modified: | 2021-03-01 | | Release date: | 2012-12-28 | | Identifier: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one |
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 | | XRA | | Name: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine | | Formula: | C19 H21 N5 O4 | | SMILES: | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4 | | InChi: | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | | Synonyms: | Prazosin | | Definition date: | 2010-09-24 | | Last modified: | 2021-03-01 | | Identifier: | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone |
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 | | ZD6 | | Name: | Vandetanib | | Formula: | C22 H24 Br F N4 O2 | | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | | Synonyms: | ZD6474 | | Definition date: | 2006-06-16 | | Last modified: | 2021-03-01 | | Identifier: | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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 | | XT8 | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H18 N2 O6 S2 | | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | | Synonyms: | ticarcillin | | Definition date: | 2019-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | XTC | | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C21 H21 N3 O9 | | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | | Synonyms: | 9-NITROTETRACYCLINE | | Definition date: | 2012-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | ZXY | | Name: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide | | Formula: | C32 H30 N2 O11 | | SMILES: | N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1 | | Synonyms: | Montbretin A analogue M06-MbA | | Definition date: | 2019-03-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-02-12 | | Identifier: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide |
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 | | S91 | | Name: | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | | Formula: | C20 H19 N5 O3 | | SMILES: | O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C | | InChi: | InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25) | | Synonyms: | (4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID | | Definition date: | 2005-03-22 | | Last modified: | 2021-03-01 | | Identifier: | [4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid |
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 | | SA2 | | Name: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE | | Formula: | C13 H19 N O9 S | | SMILES: | O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O | | InChi: | InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1 | | Synonyms: | 4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID | | Definition date: | 2006-06-09 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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 | | V55 | | Name: | 4-hydroxy-3-methoxybenzaldehyde | | Formula: | C8 H8 O3 | | SMILES: | O=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 | | Synonyms: | p-vanillin | | Definition date: | 2008-04-29 | | Last modified: | 2021-03-01 | | Identifier: | 4-hydroxy-3-methoxybenzaldehyde |
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 | | HM6 | | Name: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid | | Formula: | C10 H8 N4 O5 | | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O | | InChi: | InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19) | | Synonyms: | HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID | | Definition date: | 2012-09-13 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-09 | | Identifier: | 4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid |
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 | | SCK | | Name: | 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) | | Formula: | C14 H30 N2 O4 | | SMILES: | O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C | | InChi: | InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2 | | Synonyms: | SUCCINYLDICHOLINE | | Definition date: | 2006-06-14 | | Last modified: | 2021-03-01 | | Identifier: | 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) |
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 | | BCH | | Name: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM | | Formula: | C9 H20 N O S | | SMILES: | O=C(SCC[N+](C)(C)C)CCC | | InChi: | InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 | | Synonyms: | BUTYRYLTHIOCHOLINE | | Definition date: | 2003-04-17 | | Last modified: | 2021-03-01 | | Identifier: | 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium |
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 | | SKA | | Name: | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | | Formula: | C9 H9 Cl2 N | | SMILES: | Clc1c(Cl)ccc2c1CNCC2 | | InChi: | InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 | | Synonyms: | SK&F 64139 | | Definition date: | 2005-03-02 | | Last modified: | 2021-03-01 | | Identifier: | 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline |
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 | | BGU | | Name: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C9 H8 N6 O | | SMILES: | O=C1c3c(N=C(N1)N)cc2nc(N)nc2c3 | | InChi: | InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16) | | Synonyms: | 2-Amino-lin-Benzogunaine | | Definition date: | 2007-08-28 | | Last modified: | 2021-03-01 | | Identifier: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | SLC | | Name: | SELENO-CAPTOPRIL | | Formula: | C9 H13 N O3 Se | | SMILES: | O=C(O)C1N(C(=O)C(=C)C[SeH])CCC1 | | InChi: | InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1 | | Synonyms: | 1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE | | Definition date: | 2011-03-22 | | Last modified: | 2021-03-01 | | Identifier: | 1-[2-(selanylmethyl)acryloyl]-L-proline |
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