| OVE | Name: | 2'-O-(sulfidophosphinato)adenosine | Formula: | C10 H14 N5 O6 P S | SMILES: | [O-]P([S-])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO | InChi: | InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(21-22(18,19)23)6(17)4(1-16)20-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/p-2/t4-,6-,7-,10-/m1/s1 | Synonyms: | ADENOSINE-2'-MONOPHOSPHOROTHIOATE | Definition date: | 2012-10-29 | Last modified: | 2021-03-01 | Release date: | 2013-07-10 | Identifier: | 2'-O-(sulfidophosphinato)adenosine |
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| 675 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE | Formula: | C18 H15 N3 O | SMILES: | O=C(Nc1ccccc1)c3cc2ccc(C(=[N@H])N)cc2cc3 | InChi: | InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22) | Synonyms: | 6-(N-PHENYLCARBAMYL)-2-NAPHTHALENECARBOXAMIDINE | Definition date: | 2003-04-09 | Last modified: | 2021-03-01 | Identifier: | 6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide |
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| 679 | Name: | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID | Formula: | C17 H10 Cl2 N2 O4 | SMILES: | O=C2C(Nc1ccc(Cl)c(C(=O)O)c1)=C(C(=O)N2)c3cccc(Cl)c3 | InChi: | InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23) | Synonyms: | I-5 | Definition date: | 2003-08-06 | Last modified: | 2021-03-01 | Identifier: | 2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid |
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| 681 | Name: | 2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE | Formula: | C23 H30 N6 O4 | SMILES: | O=C2C(N)=CN=C(c1ccccc1)N2CC(=O)NC(C(O)c3nnc(o3)C(C)(C)C)C(C)C | InChi: | InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m0/s1 | Synonyms: | ONO-6818 | Definition date: | 2000-10-16 | Last modified: | 2021-03-01 | Identifier: | 2-(5-amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)-N-{(1S)-1-[(S)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-2-methylpropyl}acetamide |
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| 687 | Name: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE | Formula: | C31 H34 N3 O8 P | SMILES: | O=Cc1cc(ccc1OP(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1 | Synonyms: | RU84687 | Definition date: | 2003-06-20 | Last modified: | 2021-03-01 | Identifier: | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-O-phosphono-L-tyrosinamide |
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| 688 | Name: | 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID | Formula: | C22 H17 N5 O5 | SMILES: | O=C(O)c2cc(nc(Oc1cc(C(=[N@H])N)ccc1O)c2)Oc3cccc(c3)c4nccn4 | InChi: | InChI=1S/C22H17N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-11,28H,(H3,23,24)(H,25,26)(H,29,30) | Synonyms: | ZK-806688 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid |
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| 696 | Name: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE | Formula: | C21 H17 N3 O | SMILES: | [O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | Synonyms: | CRA_8696 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 3-{5-[amino(iminio)methyl]-1H-indol-2-yl}biphenyl-2-olate |
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| 69O | Name: | 2-oxopentanoic acid | Formula: | C5 H8 O3 | SMILES: | CCCC(C(O)=O)=O | InChi: | InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) | Synonyms: | 2-Ketopentanoic acid | Definition date: | 2016-02-22 | Last modified: | 2021-03-01 | Release date: | 2016-03-09 | Identifier: | 2-oxopentanoic acid |
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| 6AC | Name: | prop-2-enenitrile | Formula: | C3 H3 N | SMILES: | N#CC=C | InChi: | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 | Synonyms: | Acrylonitrile | Definition date: | 2013-07-16 | Last modified: | 2021-03-01 | Release date: | 2013-07-24 | Identifier: | prop-2-enenitrile |
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| 6AD | Name: | 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) | Formula: | C11 H17 N5 O10 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O | InChi: | InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | Synonyms: | 2-methylthio-adenosine-5'-diphosphate | Definition date: | 2014-03-31 | Last modified: | 2021-03-01 | Release date: | 2014-04-30 | Identifier: | 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) |
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| 6AT | Name: | 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) | Formula: | C11 H18 N5 O13 P3 S | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O | InChi: | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | Synonyms: | 2-methylthio-adenosine-5'-triphosphate | Definition date: | 2014-04-01 | Last modified: | 2021-03-01 | Release date: | 2014-04-30 | Identifier: | 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) |
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| 6CG | Name: | 5'-S-phosphono-5'-thioguanosine | Formula: | C10 H14 N5 O7 P S | SMILES: | C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N | InChi: | InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | Synonyms: | TrpGMPS hydrolysis product | Definition date: | 2016-03-10 | Last modified: | 2021-03-01 | Release date: | 2017-03-15 | Identifier: | 5'-S-phosphono-5'-thioguanosine |
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| P12 | Name: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM | Formula: | C16 H29 N5 O2 | SMILES: | [N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH3+])CC2 | InChi: | InChI=1S/C16H27N5O2/c1-22-14-3-4-15(23-10-2-5-17)13(11-14)12-20-6-8-21(9-7-20)16(18)19/h3-4,11H,2,5-10,12,17H2,1H3,(H3,18,19)/p+2 | Synonyms: | RBT205 INHIBITOR | Definition date: | 2003-12-19 | Last modified: | 2021-03-01 | Identifier: | 1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]-4-carbamimidoylpiperazin-1-ium |
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| P16 | Name: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | Formula: | C21 H16 Cl2 N4 O2 | SMILES: | Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C | InChi: | InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | Synonyms: | PD166326 | Definition date: | 2003-03-18 | Last modified: | 2021-03-01 | Identifier: | 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one |
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| P17 | Name: | 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE | Formula: | C21 H16 Cl2 N4 O S | SMILES: | Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C | InChi: | InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | Synonyms: | PD173955 | Definition date: | 2002-07-31 | Last modified: | 2021-03-01 | Identifier: | 6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
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| P1S | Name: | (6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL | Formula: | C17 H14 O6 | SMILES: | O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO | InChi: | InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1 | Synonyms: | PISATIN | Definition date: | 2005-04-28 | Last modified: | 2021-03-01 | Identifier: | (6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol |
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| P24 | Name: | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | Formula: | C6 H17 N3 | SMILES: | NCCCCNCCN | InChi: | InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2 | Synonyms: | PA(24) | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | N-(2-aminoethyl)butane-1,4-diamine |
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| P2E | Name: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid | Formula: | C20 H32 O5 | SMILES: | O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O | InChi: | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | Synonyms: | Prostaglandin E2 | Definition date: | 2009-06-04 | Last modified: | 2021-03-01 | Release date: | 2014-07-23 | Identifier: | (5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid |
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| LDE | Name: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid | Formula: | C11 H22 N O6 P | SMILES: | O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C | InChi: | InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1 | Synonyms: | L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE | Definition date: | 2011-05-18 | Last modified: | 2021-03-01 | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
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| 6EU | Name: | resiniferatoxin | Formula: | C37 H40 O9 | SMILES: | COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O | InChi: | InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1 | Synonyms: | RTX | Definition date: | 2016-03-23 | Last modified: | 2021-03-01 | Release date: | 2016-05-25 | Identifier: | [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate |
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| LDT | Name: | IDD594 | Formula: | C16 H12 Br F2 N O3 S | SMILES: | Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)O | InChi: | InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | Synonyms: | [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID | Definition date: | 2003-11-16 | Last modified: | 2021-03-01 | Identifier: | {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid |
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| 6F0 | Name: | 2-azanyl-6-fluoranyl-benzoic acid | Formula: | C7 H6 F N O2 | SMILES: | O=C(O)c1c(F)cccc1N | InChi: | InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11) | Synonyms: | 6-fluoroanthranilate | Definition date: | 2014-02-06 | Last modified: | 2021-03-01 | Release date: | 2014-04-23 | Identifier: | 2-amino-6-fluorobenzoic acid |
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| 6FE | Name: | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline | Formula: | C24 H28 N2 O | SMILES: | COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C | InChi: | InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1 | Synonyms: | MALACHITE GREEN DERIVATIVE MG-2P | Definition date: | 2015-07-27 | Last modified: | 2021-03-01 | Release date: | 2016-02-03 | Identifier: | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline |
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| 6FP | Name: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde | Formula: | C7 H5 N5 O2 | SMILES: | O=Cc2nc1c(N=C(N)NC1=O)nc2 | InChi: | InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14) | Synonyms: | 6-formylpterin | Definition date: | 2012-09-04 | Last modified: | 2021-03-01 | Release date: | 2012-10-12 | Identifier: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde |
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| 785 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE | Formula: | C15 H11 F3 N4 O2 | SMILES: | FC(F)(F)Oc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | InChi: | InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22) | Synonyms: | CRA_9785 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-(trifluoromethoxy)phenolate |
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