 | | IRH | | Name: | isorhamnetin | | Formula: | C16 H12 O7 | | SMILES: | COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O | | InChi: | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 | | Synonyms: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | | Definition date: | 2018-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-23 | | Identifier: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
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 | | BZN | | Name: | N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide | | Formula: | C23 H32 N2 O3 S | | SMILES: | O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2 | | InChi: | InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1 | | Synonyms: | N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide | | Definition date: | 2007-12-05 | | Last modified: | 2020-06-17 | | Identifier: | N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide |
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 | | BZQ | | Name: | DIPHENYLMETHANONE | | Formula: | C13 H10 O | | SMILES: | O=C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | | Synonyms: | BENZENE, BENZOYL- | | Definition date: | 2000-03-08 | | Last modified: | 2020-06-17 | | Identifier: | diphenylmethanone |
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 | | IRO | | Name: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C5 H3 I N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(I)C(=O)N1 | | InChi: | InChI=1S/C5H3IN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | | Synonyms: | 5-iodoorotic acid | | Definition date: | 2012-11-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-20 | | Identifier: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | C01 | | Name: | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | | Formula: | C25 H30 N O5 | | SMILES: | [O-]C(=O)C(Oc2c(cc1c(ON(C1=O)C)c2CCC)CCC)c3ccc(cc3)C(C)C | | InChi: | InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/p-1/t22-/m0/s1 | | Synonyms: | ALPHA-ARYLOXYPHENYLACETIC ACID AGONIST | | Definition date: | 2005-04-26 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-[4-(1-methylethyl)phenyl][(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]ethanoate |
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 | | IS2 | | Name: | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | | Formula: | C9 H12 N O4 P | | SMILES: | CCc1ccc(NC(=O)[P](O)(O)=O)cc1 | | InChi: | InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14) | | Synonyms: | ISO24 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (4-ethylphenyl)carbamoylphosphonic acid |
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 | | C09 | | Name: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine | | Formula: | C13 H14 N4 O | | SMILES: | n3c1ccccc1c2c(nc(n2)COCC)c3N | | InChi: | InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17) | | Synonyms: | CL097 | | Definition date: | 2013-01-22 | | Last modified: | 2020-06-17 | | Release date: | 2013-04-03 | | Identifier: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine |
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 | | ISA | | Name: | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | | Formula: | C9 H9 I O2 S | | SMILES: | Ic1ccc(cc1)CC(S)C(=O)O | | InChi: | InChI=1S/C9H9IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8,13H,5H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | PD150606 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-(4-iodophenyl)-2-sulfanylpropanoic acid |
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 | | C0L | | Name: | methyl
[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d
ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate | | Formula: | C30 H41 N O7 | | SMILES: | CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C | | InChi: | InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1 | | Synonyms: | Corallopyronin A | | Definition date: | 2018-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
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 | | ISJ | | Name: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | | Formula: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 | | Synonyms: | Chorismic Acid | | Definition date: | 2011-08-29 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid |
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 | | ISZ | | Name: | 4-(DIAZENYLCARBONYL)PYRIDINE | | Formula: | C6 H5 N3 O | | SMILES: | O=C(N=[N@H])c1ccncc1 | | InChi: | InChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+ | | Synonyms: | ISONIAZID | | Definition date: | 2004-08-17 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(E)-diazenylcarbonyl]pyridine |
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 | | C1A | | Name: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) | | Formula: | C14 H22 N8 S2 | | SMILES: | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C | | InChi: | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | | Synonyms: | 4-({[(E)-{[(E)-AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]SULFANYL}METHYL)-2,5-DIMETHYLBENZYL
N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | | Definition date: | 2005-08-31 | | Last modified: | 2020-06-17 | | Identifier: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) |
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 | | C1C | | Name: | 1,1'-binaphthalene-2,2'-dicarboxylic acid | | Formula: | C22 H14 O4 | | SMILES: | O=C(O)c4ccc1c(cccc1)c4c2c3c(ccc2C(=O)O)cccc3 | | InChi: | InChI=1S/C22H14O4/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26/h1-12H,(H,23,24)(H,25,26) | | Synonyms: | 1-(2-carboxynaphth-1yl)-2-naphthoic acid | | Definition date: | 2010-04-19 | | Last modified: | 2020-06-17 | | Identifier: | 1,1'-binaphthalene-2,2'-dicarboxylic acid |
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 | | ITB | | Name: | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE | | Formula: | C14 H9 N O7 S | | SMILES: | O=C(O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | | InChi: | InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20) | | Synonyms: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID | | Definition date: | 2006-11-15 | | Last modified: | 2020-06-17 | | Identifier: | 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide |
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 | | C1M | | Name: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE | | Formula: | C7 H5 Cl N4 | | SMILES: | Clc1ccc(cc1)n2nnnc2 | | InChi: | InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1-(4-chlorophenyl)-1H-tetrazole |
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 | | C1Q | | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide | | Formula: | C40 H71 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCc2ccccc2 | | InChi: | InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-PHENYLDECANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide |
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 | | ITP | | Name: | PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER | | Formula: | C6 H14 O12 P2 | | SMILES: | O=P(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)(O)O | | InChi: | InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6- | | Synonyms: | INOSITOL 1,3-BISPHOSPHATE | | Definition date: | 2001-01-24 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2s,3S,4R,5s,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] |
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 | | ITT | | Name: | INOSINE 5'-TRIPHOSPHATE | | Formula: | C10 H15 N4 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2ncnc1O)C(O)C3O | | InChi: | InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | INOSINE TRIPHOSPHATE | | Definition date: | 2004-09-01 | | Last modified: | 2020-06-17 | | Identifier: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol |
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 | | C2Z | | Name: | 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid | | Formula: | C7 H6 N O6 P | | SMILES: | OP(c1ccc(o1)c2cc(O)on2)(O)=O | | InChi: | InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12) | | Synonyms: | [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid | | Definition date: | 2015-04-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-09 | | Identifier: | [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid |
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 | | C3D | | Name: | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL | | Formula: | C28 H31 N O2 | | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCC4c3ccccc3)CCN5CCCC5 | | InChi: | InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | | Synonyms: | Lasofoxifene | | Definition date: | 2007-02-21 | | Last modified: | 2020-06-17 | | Identifier: | (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol |
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 | | JAN | | Name: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE | | Formula: | C27 H22 Cl2 N4 O | | SMILES: | Clc1cccc(c1)C=3c2cc(ccc2N(C(=O)C=3)C)C(N)(c4cncn4C)c5ccc(Cl)cc5 | | InChi: | InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1 | | Synonyms: | R115777 | | Definition date: | 2004-02-18 | | Last modified: | 2020-06-17 | | Identifier: | 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one |
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 | | C5E | | Name: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE | | Formula: | C11 H14 N2 O | | SMILES: | O=C1C=CC=C2N1CC3CNCC2C3 | | InChi: | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 | | Synonyms: | CYTISINE | | Definition date: | 2012-01-23 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
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 | | C6H | | Name: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one | | Formula: | C24 H33 Cl N2 O2 | | SMILES: | COc1c(cc(Cl)c2[nH]ccc12)C(=O)CCC3CCN(CC3)CC4CCCCC4 | | InChi: | InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3 | | Synonyms: | MR28926 | | Definition date: | 2017-11-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one |
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 | | C6Q | | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide | | Formula: | C36 H63 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2 | | InChi: | InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-06 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide |
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 | | JD7 | | Name: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile | | Formula: | C14 H13 N3 | | SMILES: | C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3 | | InChi: | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1 | | Synonyms: | fadrozole | | Definition date: | 2018-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
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