 | | IPA | | Name: | ISOPROPYL ALCOHOL | | Formula: | C3 H8 O | | SMILES: | OC(C)C | | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | | Synonyms: | 2-PROPANOL | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | propan-2-ol |
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 | | 152 | | Name: | CARNITINE | | Formula: | C7 H16 N O3 | | SMILES: | O=C(O)CC(O)C[N+](C)(C)C | | InChi: | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 | | Synonyms: | (3-CARBOXY-2-(R)-HYDROXY-PROPYL)-TRIMETHYL-AMMONIUM | | Definition date: | 2002-12-19 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium |
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 | | IPY | | Name: | IMIDAZOLE-PYRROLE POLYAMIDE | | Formula: | C31 H42 N11 O5 | | SMILES: | O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C | | InChi: | InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1 | | Synonyms: | IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium |
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 | | IPZ | | Name: | 2-ISOPROPYL-3-METHOXYPYRAZINE | | Formula: | C8 H12 N2 O | | SMILES: | O(c1nccnc1C(C)C)C | | InChi: | InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 | | Synonyms: | 2-METHOXY-3-ISOPROPYLPYRAZINE | | Definition date: | 2003-09-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-methoxy-3-(1-methylethyl)pyrazine |
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 | | IQB | | Name: | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE | | Formula: | C20 H20 Br N3 O2 S | | SMILES: | Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3 | | InChi: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | | Synonyms: | H-89 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide |
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 | | 16N | | Name: | 2,3-dihydro-1H-indene | | Formula: | C9 H10 | | SMILES: | c1cccc2c1CCC2 | | InChi: | InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2 | | Synonyms: | indan | | Definition date: | 2012-10-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | 2,3-dihydro-1H-indene |
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 | | 16R | | Name: | (methylsulfanyl)benzene | | Formula: | C7 H8 S | | SMILES: | CSc1ccccc1 | | InChi: | InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 | | Synonyms: | methyl phenyl sulfide | | Definition date: | 2012-10-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | (methylsulfanyl)benzene |
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 | | 16Z | | Name: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol | | Formula: | C13 H19 N O3 | | SMILES: | OC2C(c1ccc(OC)cc1)N(C)C(C)C2O | | InChi: | InChI=1S/C13H19NO3/c1-8-12(15)13(16)11(14(8)2)9-4-6-10(17-3)7-5-9/h4-8,11-13,15-16H,1-3H3/t8-,11-,12+,13-/m0/s1 | | Synonyms: | 4-epi-(+)-Codonopsinine | | Definition date: | 2013-03-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol |
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 | | 173 | | Name: | BENZOYL-FORMIC ACID | | Formula: | C8 H6 O3 | | SMILES: | O=C(C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) | | Synonyms: | OXO(PHENYL)ACETIC ACID | | Definition date: | 2004-04-09 | | Last modified: | 2021-03-01 | | Identifier: | oxo(phenyl)acetic acid |
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 | | IS3 | | Name: | Isopentenyl Diphosphate Beta-S | | Formula: | C5 H14 O6 P2 S | | SMILES: | O=P(O)(OP(=O)(OCCC(C)C)O)S | | InChi: | InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14) | | Synonyms: | O-(3-methylbutyl) trihydrogen thiodiphosphate | | Definition date: | 2009-10-21 | | Last modified: | 2021-03-01 | | Identifier: | O-(3-methylbutyl) trihydrogen thiodiphosphate |
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 | | ISC | | Name: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | | Formula: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1 | | Synonyms: | ISOCHORISMIC ACID | | Definition date: | 2003-01-15 | | Last modified: | 2021-03-01 | | Identifier: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid |
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 | | 17S | | Name: | N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | Formula: | C15 H21 N3 O6 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(OC)cc2 | | InChi: | InChI=1S/C15H21N3O6S/c1-23-9-4-2-8(3-5-9)6-16-18-15(25)17-14-13(22)12(21)11(20)10(7-19)24-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,25)/b16-6+/t10-,11-,12+,13-,14-/m1/s1 | | Synonyms: | 4-methoxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | | Definition date: | 2010-05-03 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2E)-2-(4-methoxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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 | | 180 | | Name: | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID | | Formula: | C22 H26 N4 O5 S3 | | SMILES: | O=S(=O)(c1cccnc1)NC(C(=O)O)CNC(=O)c2sc3sc(cc3c2)CCC4CCNCC4 | | InChi: | InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1 | | Synonyms: | MERCK L739758 | | Definition date: | 2004-07-20 | | Last modified: | 2021-03-01 | | Identifier: | 3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine |
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 | | ISY | | Name: | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid | | Formula: | C5 H12 O6 P2 S | | SMILES: | O=P(O)(OP(=O)(O)SCCC(=C)C)O | | InChi: | InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) | | Synonyms: | Isopentyl S-Thiolodiphosphate | | Definition date: | 2010-11-08 | | Last modified: | 2021-03-01 | | Identifier: | S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate |
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 | | 184 | | Name: | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | | Formula: | C26 H28 O3 | | SMILES: | O=C(O)c2ccc1cc(ccc1c2)C(O)c3ccc4c(c3)C(CCC4(C)C)(C)C | | InChi: | InChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m0/s1 | | Synonyms: | BMS184394 | | Definition date: | 2000-08-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-[(S)-hydroxy(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid |
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 | | 18S | | Name: | N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | Formula: | C15 H21 N3 O5 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C | | InChi: | InChI=1S/C15H21N3O5S/c1-8-2-4-9(5-3-8)6-16-18-15(24)17-14-13(22)12(21)11(20)10(7-19)23-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,24)/b16-6+/t10-,11-,12+,13-,14-/m1/s1 | | Synonyms: | 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | | Definition date: | 2010-05-03 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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 | | ITQ | | Name: | 1,2,3,4-Tetrahydrogen Staurosporine | | Formula: | C28 H28 N4 O3 | | SMILES: | O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | | InChi: | InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1 | | Synonyms: | Staurosporine Analogue - AFN941 | | Definition date: | 2013-03-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-27 | | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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 | | 5VO | | Name: | 6-oxidanylidene-6-phenyl-hexanoic acid | | Formula: | C12 H14 O3 | | SMILES: | OC(=O)CCCCC(=O)c1ccccc1 | | InChi: | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) | | Synonyms: | 5-Benzoylpentanoic Acid | | Definition date: | 2015-12-10 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | 6-oxidanylidene-6-phenyl-hexanoic acid |
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 | | 5VQ | | Name: | 2-Propen-1-ol | | Formula: | C3 H6 O | | SMILES: | OCC=C | | InChi: | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 | | Synonyms: | allyl alcohol | | Definition date: | 2015-12-11 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-06 | | Identifier: | prop-2-en-1-ol |
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 | | IVV | | Name: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide | | Formula: | C24 H46 N3 O7 P | | SMILES: | O=P(O)(C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)OCC | | InChi: | InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21+,22+/m1/s1 | | Synonyms: | PHOSPHINIC ACID ANALOGUE OF STATIN (IVA)-VAL-VAL-STA(P)-O-ET | | Definition date: | 2010-10-28 | | Last modified: | 2021-03-01 | | Identifier: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide |
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 | | IWD | | Name: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H8 I N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(I)C(=O)NC1=O | | InChi: | InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | IODO-WILLARDIINE | | Definition date: | 2002-09-18 | | Last modified: | 2021-03-01 | | Identifier: | 3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | 5YB | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine | | Formula: | C24 H27 N5 O7 | | SMILES: | C(c1ccc(C(=N)N)cc1)(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)O | | InChi: | InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1 | | Synonyms: | Ro-435054 | | Definition date: | 2016-01-05 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-03 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-L-alpha-aspartyl-L-phenylalanine |
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 | | IXM | | Name: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME | | Formula: | C16 H11 N3 O2 | | SMILES: | O=C2C(c1ccccc1N2)=C4C(=NO)c3ccccc3N4 | | InChi: | InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | | Synonyms: | INDIRUBIN-3'-MONOXIME | | Definition date: | 2003-08-06 | | Last modified: | 2021-03-01 | | Identifier: | (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime |
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 | | IXO | | Name: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium | | Formula: | C10 H17 N2 O2 | | SMILES: | C(#CCOC1=NOCC1)C[N+](C)(C)C | | InChi: | InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 | | Synonyms: | Iperoxo | | Definition date: | 2013-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-27 | | Identifier: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium |
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 | | 607 | | Name: | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | | Formula: | C24 H19 N5 O5 | | SMILES: | [O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3N)c4 | | InChi: | InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1 | | Synonyms: | CRA_18607 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-(2'-amino-5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-oxidobiphenyl-3-yl)butanedioate |
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