 | | 2UT | | Name: | (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide | | Formula: | C22 H22 N2 O5 | | SMILES: | O=C1c4cccc(C(=O)N)c4O/C1=Cc3ccc(OCCN2CCOCC2)cc3 | | InChi: | InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14- | | Definition date: | 2014-02-12 | | Last modified: | 2014-06-27 | | Release date: | 2014-07-02 | | Identifier: | (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide |
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 | | 4BI | | Name: | (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid | | Formula: | C22 H22 Cl N O3 | | SMILES: | O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C22H22ClNO3/c1-13-18(20(21(25)26)27-22(2,3)4)19(14-9-11-15(23)12-10-14)16-7-5-6-8-17(16)24-13/h5-12,20H,1-4H3,(H,25,26)/t20-/m0/s1 | | Definition date: | 2014-01-09 | | Last modified: | 2014-06-20 | | Release date: | 2014-06-25 | | Identifier: | (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid |
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 | | S36 | | Name: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone | | Formula: | C19 H21 N O3 | | SMILES: | O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2c(cccc2)CC3 | | InChi: | InChI=1S/C19H21NO3/c1-12(2)15-9-16(18(22)10-17(15)21)19(23)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9-10,12,21-22H,7-8,11H2,1-2H3 | | Definition date: | 2013-06-24 | | Last modified: | 2014-06-13 | | Release date: | 2014-06-18 | | Identifier: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone |
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 | | RL1 | | Name: | [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone | | Formula: | C22 H17 Br N4 O3 | | SMILES: | Brc1ccc2nnc(n2c1)c3cc(c(O)cc3O)C(=O)N5Cc4c(cccc4)CC5 | | InChi: | InChI=1S/C22H17BrN4O3/c23-15-5-6-20-24-25-21(27(20)12-15)16-9-17(19(29)10-18(16)28)22(30)26-8-7-13-3-1-2-4-14(13)11-26/h1-6,9-10,12,28-29H,7-8,11H2 | | Definition date: | 2013-06-24 | | Last modified: | 2014-06-13 | | Release date: | 2014-06-18 | | Identifier: | [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
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 | | OFH | | Name: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | | Formula: | C23 H24 Cl F6 N3 O5 S | | SMILES: | O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4 | | InChi: | InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1 | | Definition date: | 2013-05-28 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
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 | | 2SQ | | Name: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid | | Formula: | C26 H28 F N O5 | | SMILES: | O=C(O)C(OC(C)(C)C)C=4N(C(=O)c1ccccc1C=4c3cc(F)c2OCCCc2c3C)C | | InChi: | InChI=1S/C26H28FNO5/c1-14-15-11-8-12-32-22(15)19(27)13-18(14)20-16-9-6-7-10-17(16)24(29)28(5)21(20)23(25(30)31)33-26(2,3)4/h6-7,9-10,13,23H,8,11-12H2,1-5H3,(H,30,31)/t23-/m0/s1 | | Definition date: | 2014-01-24 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid |
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 | | 1U7 | | Name: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol | | Formula: | C15 H21 N O | | SMILES: | OC2(c1ccccc1)C3C(NCC2)CCCC3 | | InChi: | InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1 | | Definition date: | 2013-06-05 | | Last modified: | 2014-05-16 | | Release date: | 2014-05-21 | | Identifier: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol |
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 | | 2RS | | Name: | 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile | | Formula: | C26 H31 N7 O2 | | SMILES: | N#Cc1ccc(cc1)Nc2nc(nc(n2)Nc3c(cc(cc3C)C)C)OCCCN4CCOCC4 | | InChi: | InChI=1S/C26H31N7O2/c1-18-15-19(2)23(20(3)16-18)29-25-30-24(28-22-7-5-21(17-27)6-8-22)31-26(32-25)35-12-4-9-33-10-13-34-14-11-33/h5-8,15-16H,4,9-14H2,1-3H3,(H2,28,29,30,31,32) | | Definition date: | 2014-01-14 | | Last modified: | 2014-05-16 | | Release date: | 2014-05-21 | | Identifier: | 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile |
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 | | RUI | | Name: | Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium | | Formula: | C18 H7 N2 O2 Ru | | SMILES: | [Ru]|1|2|3|45(|[C-]#[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c(=O)[nH]cc5c9c78 | | InChi: | InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12 | | Definition date: | 2013-07-23 | | Last modified: | 2014-05-16 | | Release date: | 2014-05-21 |
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 | | JQF | | Name: | 3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE | | Formula: | C19 H19 N3 O2 | | SMILES: | O=C(Nc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)CC(C)C | | InChi: | InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24) | | Definition date: | 2013-06-20 | | Last modified: | 2014-05-12 | | Release date: | 2013-10-30 | | Identifier: | 3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]butanamide |
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 | | 2ZQ | | Name: | 8-nitroquinoline | | Formula: | C9 H6 N2 O2 | | SMILES: | [O-][N+](=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H | | Definition date: | 2013-09-20 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 8-nitroquinoline |
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 | | 2ZT | | Name: | 2-[(quinolin-7-yloxy)methyl]quinoline | | Formula: | C19 H14 N2 O | | SMILES: | n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4 | | InChi: | InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2 | | Definition date: | 2013-09-20 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 2-[(quinolin-7-yloxy)methyl]quinoline |
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 | | 2ZU | | Name: | 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline | | Formula: | C18 H14 N2 O S | | SMILES: | n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C | | InChi: | InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3 | | Definition date: | 2013-09-23 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline |
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 | | MRW | | Name: | 7-chloroquinolin-4-ol | | Formula: | C9 H6 Cl N O | | SMILES: | Clc1cc2nccc(O)c2cc1 | | InChi: | InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12) | | Definition date: | 2013-09-20 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 7-chloroquinolin-4-ol |
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 | | 2V1 | | Name: | 4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide | | Formula: | C31 H28 N6 O5 S | | SMILES: | O=C(c5ccc(Nc4nc(c2cccc(NC(=O)c1ccc(cc1)S(=O)(=O)C)c2)cn3ccnc34)cc5)N6CCOCC6 | | InChi: | InChI=1S/C31H28N6O5S/c1-43(40,41)26-11-7-21(8-12-26)30(38)34-25-4-2-3-23(19-25)27-20-37-14-13-32-29(37)28(35-27)33-24-9-5-22(6-10-24)31(39)36-15-17-42-18-16-36/h2-14,19-20H,15-18H2,1H3,(H,33,35)(H,34,38) | | Definition date: | 2014-02-19 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide |
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 | | 2V2 | | Name: | 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea | | Formula: | C27 H29 N5 O3 | | SMILES: | O=C1C(NC(=O)NC)=CC(=CN1C)c4cccc(N3C=Nc2cc(ccc2C3=O)C(C)(C)C)c4C | | InChi: | InChI=1S/C27H29N5O3/c1-16-19(17-12-22(30-26(35)28-5)25(34)31(6)14-17)8-7-9-23(16)32-15-29-21-13-18(27(2,3)4)10-11-20(21)24(32)33/h7-15H,1-6H3,(H2,28,30,35) | | Definition date: | 2014-02-19 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea |
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 | | 2V3 | | Name: | 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one | | Formula: | C36 H37 F N6 O3 | | SMILES: | Fc2cc(cc1C=CN(C(=O)c12)c3cccc(c3CO)C=4C=C(C(=O)N(C=4)C)Nc6ncc(N5CCN(CC)CC5)cc6)C7CC7 | | InChi: | InChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39) | | Definition date: | 2014-02-19 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one |
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 | | IQG | | Name: | N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate) | | Formula: | C21 H22 N9 O7 P | | SMILES: | O=P(O)(O)OCC6OC(n5cnc4c5N=C(Nc3c1ncccc1c2nc(N)n(c2c3)C)NC4=O)CC6O | | InChi: | InChI=1S/C21H22N9O7P/c1-29-11-5-10(15-9(3-2-4-23-15)16(11)26-20(29)22)25-21-27-18-17(19(32)28-21)24-8-30(18)14-6-12(31)13(37-14)7-36-38(33,34)35/h2-5,8,12-14,31H,6-7H2,1H3,(H2,22,26)(H2,33,34,35)(H2,25,27,28,32)/t12-,13+,14+/m0/s1 | | Definition date: | 2013-11-06 | | Last modified: | 2014-05-09 | | Release date: | 2014-05-14 | | Identifier: | N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate) |
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 | | NHG | | Name: | BIS-NORESEROLINE | | Formula: | C11 H14 N2 O | | SMILES: | Oc1cc2c(cc1)NC3NCCC23C | | InChi: | InChI=1S/C11H14N2O/c1-11-4-5-12-10(11)13-9-3-2-7(14)6-8(9)11/h2-3,6,10,12-14H,4-5H2,1H3/t10-,11+/m1/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2014-05-08 | | Identifier: | (3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol |
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 | | QNM | | Name: | 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid | | Formula: | C13 H12 N2 O5 | | SMILES: | O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C | | InChi: | InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,20H,6H2,1H3,(H,14,19)(H,16,17) | | Definition date: | 2013-06-03 | | Last modified: | 2014-05-08 | | Release date: | 2013-06-19 | | Identifier: | N-[(2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]glycine |
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 | | SXI | | Name: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid | | Formula: | C17 H20 Cl N5 O3 | | SMILES: | O=C(O)C4NCC3C(CC(Oc1c(c(Cl)ccc1)c2nnnn2)CC3)C4 | | InChi: | InChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1 | | Definition date: | 2013-09-11 | | Last modified: | 2014-05-02 | | Release date: | 2014-05-07 | | Identifier: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid |
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 | | 28L | | Name: | N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide | | Formula: | C27 H29 N3 O5 S | | SMILES: | O=C4N=C(OC)CC=C4c3cc(c(OC)c2c3ncc(c1ccc(NS(=O)(=O)C)cc1)c2)C(C)(C)C | | InChi: | InChI=1S/C27H29N3O5S/c1-27(2,3)22-14-20(19-11-12-23(34-4)29-26(19)31)24-21(25(22)35-5)13-17(15-28-24)16-7-9-18(10-8-16)30-36(6,32)33/h7-11,13-15,30H,12H2,1-6H3 | | Definition date: | 2013-09-10 | | Last modified: | 2014-05-02 | | Release date: | 2014-05-07 | | Identifier: | N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide |
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 | | 28M | | Name: | N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide | | Formula: | C25 H32 N4 O4 S | | SMILES: | O=C1NC=CC=C1c3c2ncc(cc2c(OC)c(c3)C(C)(C)C)N4CCC(C4)CNS(=O)(=O)C | | InChi: | InChI=1S/C25H32N4O4S/c1-25(2,3)21-12-19(18-7-6-9-26-24(18)30)22-20(23(21)33-4)11-17(14-27-22)29-10-8-16(15-29)13-28-34(5,31)32/h6-7,9,11-12,14,16,28H,8,10,13,15H2,1-5H3,(H,26,30)/t16-/m1/s1 | | Definition date: | 2013-09-10 | | Last modified: | 2014-05-02 | | Release date: | 2014-05-07 | | Identifier: | N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide |
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 | | CYC | | Name: | PHYCOCYANOBILIN | | Formula: | C33 H40 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2014-05-01 | | Identifier: | (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one |
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 | | XWW | | Name: | N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine | | Formula: | C17 H21 F N10 O | | SMILES: | Fc1cnc(nc1)C(Nc2nc(nc(n2)Nc3ncn(c3)C)N4CCOCC4)C | | InChi: | InChI=1S/C17H21FN10O/c1-11(14-19-7-12(18)8-20-14)22-15-24-16(23-13-9-27(2)10-21-13)26-17(25-15)28-3-5-29-6-4-28/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1 | | Definition date: | 2013-09-17 | | Last modified: | 2014-04-29 | | Release date: | 2014-01-08 | | Identifier: | N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N'-(1-methyl-1H-imidazol-4-yl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine |
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