| AM5 | Name: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide | Formula: | C31 H30 F3 N7 O2 | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39) | Definition date: | 2008-01-21 | Last modified: | 2011-06-04 | Identifier: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
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| AMS | Name: | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | Formula: | C6 H7 Hg N2 O2 S | SMILES: | O=S(=O)(c1cc([Hg])c(N)cc1)N | InChi: | InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (2-amino-5-sulfamoylphenyl)mercury |
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| HAB | Name: | 2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID | Formula: | C13 H10 N2 O3 | SMILES: | O=C(O)c2ccccc2/N=N/c1ccc(O)cc1 | InChi: | InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+ | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid |
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| HDN | Name: | METHYLHYDRAZINE | Formula: | C H4 N2 | SMILES: | [N@H]=NC | InChi: | InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2- | Definition date: | 1999-08-23 | Last modified: | 2011-06-04 | Identifier: | (Z)-methyldiazene |
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| HDT | Name: | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE | Formula: | C17 H14 N6 O2 S | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34 | InChi: | InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22) | Definition date: | 2003-06-24 | Last modified: | 2011-06-04 | Identifier: | 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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| HFB | Name: | hexafluorobenzene | Formula: | C6 F6 | SMILES: | Fc1c(F)c(F)c(F)c(F)c1F | InChi: | InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 | Definition date: | 2008-07-11 | Last modified: | 2011-06-04 | Identifier: | hexafluorobenzene |
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| HFL | Name: | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL | Formula: | C10 H12 O5 | SMILES: | O(c1cc(cc(O)c1O)/C=C/C(O)O)C | InChi: | InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+ | Definition date: | 2002-02-12 | Last modified: | 2011-06-04 | Identifier: | 5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol |
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| HI0 | Name: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide | Formula: | C43 H45 Cl N8 O4 S2 | SMILES: | [O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67 | InChi: | InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1 | Definition date: | 2011-02-18 | Last modified: | 2011-06-04 | Identifier: | N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide |
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| 2IB | Name: | 2-IODOBENZYL GROUP | Formula: | C7 H7 I | SMILES: | Ic1ccccc1C | InChi: | InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 1-iodo-2-methylbenzene |
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| 2NQ | Name: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide | Formula: | C24 H20 Cl F N4 O3 S | SMILES: | Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5 | InChi: | InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2 | Definition date: | 2011-05-19 | Last modified: | 2011-06-04 | Identifier: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide |
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| HMK | Name: | (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL | Formula: | C16 H12 O6 | SMILES: | O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4 | InChi: | InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1 | Definition date: | 2005-04-27 | Last modified: | 2011-06-04 | Identifier: | (6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol |
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| HV7 | Name: | 1-METHYLAMINE-2-HYDROXY-4-METHOXY-BENZENE | Formula: | C8 H11 N O2 | SMILES: | Oc1cc(OC)ccc1CN | InChi: | InChI=1S/C8H11NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,5,9H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2-(aminomethyl)-5-methoxyphenol |
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| FRP | Name: | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | Formula: | C33 H41 F N4 O3 | SMILES: | Fc3ccc(NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)Cc2ccccc2)cc3 | InChi: | InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1 | Definition date: | 2005-12-30 | Last modified: | 2011-06-04 | Identifier: | N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide |
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| FRT | Name: | N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Formula: | C20 H26 N6 O3 S | SMILES: | O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C | InChi: | InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25) | Definition date: | 2008-08-08 | Last modified: | 2011-06-04 | Identifier: | N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide |
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| FRV | Name: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE | Formula: | C18 H20 N6 O2 S | SMILES: | O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C | InChi: | InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23) | Definition date: | 2008-08-08 | Last modified: | 2011-06-04 | Identifier: | 4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide |
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| ESH | Name: | 4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE | Formula: | C26 H31 Cl N4 O | SMILES: | Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4 | InChi: | InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1 | Definition date: | 2006-02-17 | Last modified: | 2011-06-04 | Identifier: | 4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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| ETP | Name: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID | Formula: | C16 H14 B N O6 S3 | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3 | InChi: | InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H | Definition date: | 2000-12-07 | Last modified: | 2011-06-04 | Identifier: | [3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid |
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| EYK | Name: | 2-tert-butylbenzene-1,4-diol | Formula: | C10 H14 O2 | SMILES: | Oc1ccc(O)cc1C(C)(C)C | InChi: | InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3 | Definition date: | 2008-10-30 | Last modified: | 2011-06-04 | Identifier: | 2-tert-butylbenzene-1,4-diol |
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| F2I | Name: | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | Formula: | C32 H38 F2 I N3 O3 | SMILES: | Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3 | InChi: | InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1 | Definition date: | 2006-10-17 | Last modified: | 2011-06-04 | Identifier: | N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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| F3B | Name: | 1,3,5-trichloro-2,4,6-trifluorobenzene | Formula: | C6 Cl3 F3 | SMILES: | Clc1c(F)c(Cl)c(F)c(Cl)c1F | InChi: | InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11 | Definition date: | 2008-07-16 | Last modified: | 2011-06-04 | Identifier: | 1,3,5-trichloro-2,4,6-trifluorobenzene |
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| F5B | Name: | 1,2,3,4,5-pentafluorobenzene | Formula: | C6 H F5 | SMILES: | Fc1cc(F)c(F)c(F)c1F | InChi: | InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H | Definition date: | 2008-07-11 | Last modified: | 2011-06-04 | Identifier: | 1,2,3,4,5-pentafluorobenzene |
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| I15 | Name: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile | Formula: | C16 H9 F N4 O | SMILES: | N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3 | InChi: | InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21) | Definition date: | 2008-09-08 | Last modified: | 2011-06-04 | Identifier: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile |
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| I48 | Name: | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE | Formula: | C20 H22 N3 O3 S | SMILES: | O=S(=O)(c1ccccc1)Nc3cc(cc(OCCNc2cc[nH+]cc2)c3)C | InChi: | InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 4-[(2-{3-methyl-5-[(phenylsulfonyl)amino]phenoxy}ethyl)amino]pyridinium |
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| I4B | Name: | ISOBUTYLBENZENE | Formula: | C10 H14 | SMILES: | c1ccccc1CC(C)C | InChi: | InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (2-methylpropyl)benzene |
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| I7A | Name: | 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE | Formula: | C6 H6 Cl2 N2 O4 S2 | SMILES: | Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N | InChi: | InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | Definition date: | 2007-05-02 | Last modified: | 2011-06-04 | Identifier: | 4,5-dichlorobenzene-1,3-disulfonamide |
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