 | | LDP | | Name: | L-DOPAMINE | | Formula: | C8 H11 N O2 | | SMILES: | Oc1ccc(cc1O)CCN | | InChi: | InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | | Synonyms: | DOPAMINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2-aminoethyl)benzene-1,2-diol |
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 | | 11W | | Name: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid | | Formula: | C20 H21 N3 O4 | | SMILES: | O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2 | | InChi: | InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1 | | Synonyms: | trans-GluAzo | | Definition date: | 2012-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-25 | | Identifier: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid |
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 | | 13X | | Name: | benzene-1,3,5-triol | | Formula: | C6 H6 O3 | | SMILES: | Oc1cc(O)cc(O)c1 | | InChi: | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | | Synonyms: | Phloroglucinol | | Definition date: | 2012-10-05 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | benzene-1,3,5-triol |
|
 | | MDW | | Name: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | | Formula: | C18 H20 N2 O7 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)N3C(c2c(cc(O)c(OC)c2)CC3)C(=O)NO | | InChi: | InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1 | | Synonyms: | 6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE | | Definition date: | 2006-02-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
|
 | | MEL | | Name: | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | | Formula: | C22 H31 N5 O4 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3 | | InChi: | InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 | | Synonyms: | MELAGATRAN (ASTRA-ZENECA) | | Definition date: | 2001-10-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine |
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 | | AV6 | | Name: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol | | Formula: | C17 H14 N2 O2 | | SMILES: | N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4 | | InChi: | InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H | | Synonyms: | 4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL | | Definition date: | 2011-05-03 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol |
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 | | AXO | | Name: | (1E)-N-hydroxyethanimine | | Formula: | C2 H5 N O | | SMILES: | N(/O)=CC | | InChi: | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ | | Synonyms: | Acetaldoxime | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (1E)-N-hydroxyethanimine |
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 | | 586 | | Name: | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANES
ULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE | | Formula: | C43 H51 F2 N5 O9 S | | SMILES: | O=C(NCc1ccccc1)C(NC(=O)C(OC)CC(O)C(NC(=O)c3cc(C(=O)NC(c2ccccc2)C)cc(N(C)S(=O)(=O)C)c3)COc4cc(F)cc(F)c4)C(C)C | | InChi: | InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1 | | Synonyms: | N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-
oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Definition date: | 2008-10-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name) |
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 | | F9F | | Name: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | | Formula: | C9 H11 F3 N O7 P S | | SMILES: | FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O | | InChi: | InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16) | | Synonyms: | N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9 | | Definition date: | 2004-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate |
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 | | HS6 | | Name: | 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | | Formula: | C8 H7 F N2 O4 S | | SMILES: | O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O | | InChi: | InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2 | | Synonyms: | 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide |
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 | | HS7 | | Name: | N-oxo-2-(phenylsulfonylamino)ethanamide | | Formula: | C8 H8 N2 O4 S | | SMILES: | O=S(=O)(NCC(=O)N=O)c1ccccc1 | | InChi: | InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2 | | Synonyms: | N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N-oxo-N~2~-(phenylsulfonyl)glycinamide |
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 | | 623 | | Name: | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE) | | Formula: | C20 H18 F2 N5 O2 | | SMILES: | Fc3c(Oc1cc(C(=[N@H])N)ccc1)[nH+]c(Oc2cccc(C(=[N@H])N)c2)c(F)c3C | | InChi: | InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+1 | | Synonyms: | ZK-805623 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2,6-bis(3-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridinium |
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 | | HVG | | Name: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid | | Formula: | C10 H9 N O6 | | SMILES: | C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N | | InChi: | InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Definition date: | 2018-07-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-07 | | Identifier: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid |
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 | | I1P | | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | | Formula: | C21 H24 N8 O2 S | | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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 | | 4MC | | Name: | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID
E | | Formula: | C29 H41 N7 O4 S | | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N | | InChi: | InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1 | | Synonyms: | 4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE | | Definition date: | 2007-03-21 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide |
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 | | 65B | | Name: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | | Formula: | C20 H15 Br N6 O | | SMILES: | N#Cc3cc(c(Oc1nc(nc(c1Br)N)Nc2ccc(C#N)cc2)c(c3)C)C | | InChi: | InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) | | Synonyms: | Etravine | | Definition date: | 2004-04-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile |
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 | | M28 | | Name: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | | Formula: | C9 H11 N O4 S | | SMILES: | O=S(=O)(c1ccc(cc1)CCC(=O)O)N | | InChi: | InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14) | | Synonyms: | P-CARBOXYETHYLBENZENESULFONAMIDE | | Definition date: | 2006-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-sulfamoylphenyl)propanoic acid |
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 | | DON | | Name: | 6-DIAZENYL-5-OXO-L-NORLEUCINE | | Formula: | C6 H11 N3 O3 | | SMILES: | O=C(O)C(N)CCC(=O)CN=[N@H] | | InChi: | InChI=1S/C6H11N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5,8H,1-3,7H2,(H,11,12)/t5-/m0/s1 | | Synonyms: | (S)-2-AMINO-6-DIAZENYL-5-OXOHEXANOIC ACID | | Definition date: | 2007-02-08 | | Last modified: | 2020-06-17 | | Identifier: | 6-diazenyl-5-oxo-L-norleucine |
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 | | 5N7 | | Name: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1,
11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide | | Formula: | C42 H56 N10 O6 S | | SMILES: | NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1 | | InChi: | InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1 | | Synonyms: | MI-133 | | Definition date: | 2015-10-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-07-13 |
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 | | DTS | | Name: | 2-{[(S)-phenylsulfinyl]methyl}benzoic acid | | Formula: | C14 H12 O3 S | | SMILES: | c1cc(ccc1)S(Cc2ccccc2C(=O)O)=O | | InChi: | InChI=1S/C14H12O3S/c15-14(16)13-9-5-4-6-11(13)10-18(17)12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)/t18-/m0/s1 | | Synonyms: | 2-{[(S)-benzenesulfinyl]methyl}benzoic acid | | Definition date: | 2017-11-06 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-07 | | Identifier: | 2-{[(S)-phenylsulfinyl]methyl}benzoic acid |
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 | | 6Q1 | | Name: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te
traazacyclotetradecin-8(3H)-one | | Formula: | C26 H35 N7 O | | SMILES: | c1cc(ccc1CN2CCN(C)CC2)c3cn4c5c3cnc(NCCCCC(NCCC4)=O)n5 | | InChi: | InChI=1S/C26H35N7O/c1-31-13-15-32(16-14-31)18-20-6-8-21(9-7-20)23-19-33-12-4-11-27-24(34)5-2-3-10-28-26-29-17-22(23)25(33)30-26/h6-9,17,19H,2-5,10-16,18H2,1H3,(H,27,34)(H,28,29,30) | | Synonyms: | UNC2434 | | Definition date: | 2016-05-19 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]tetraazacyclotetradecin-8(3H)-one |
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 | | 6RL | | Name: | 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni
trile | | Formula: | C18 H20 F N5 O2 | | SMILES: | CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O | | InChi: | InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1 | | Synonyms: | SYR-472 | | Definition date: | 2016-06-06 | | Last modified: | 2020-06-17 | | Release date: | 2016-07-13 | | Identifier: | 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile |
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 | | MRE | | Name: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | | Formula: | C15 H15 N3 O2 | | SMILES: | O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1 | | InChi: | InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ | | Synonyms: | METHYL RED | | Definition date: | 2007-08-23 | | Last modified: | 2020-06-17 | | Identifier: | 2-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
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 | | 3BS | | Name: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide | | Formula: | C16 H25 Cl N4 O3 S2 | | SMILES: | O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C | | InChi: | InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25) | | Synonyms: | (4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl | | Definition date: | 2008-09-12 | | Last modified: | 2020-06-17 | | Identifier: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide |
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 | | 3BT | | Name: | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | | Formula: | C12 H18 N4 S2 | | SMILES: | S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N | | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16) | | Synonyms: | S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | | Definition date: | 1999-09-23 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
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