 | | 5HW | | Name: | 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol | | Formula: | C20 H22 O2 | | SMILES: | Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)C | | InChi: | InChI=1S/C20H22O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,21-22H,2-4,13H2,1H3/t14-/m1/s1 | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol |
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 | | 5HX | | Name: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | | Formula: | C22 H24 O | | SMILES: | C1C2CCCC(CC1)/C2=C(c3ccc(O)cc3)c4ccccc4 | | InChi: | InChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+ | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol |
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 | | 5HZ | | Name: | 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol | | Formula: | C22 H24 O2 | | SMILES: | C1CCC2CCCC1C/2=C(/c3ccc(O)cc3)c4ccc(cc4)O | | InChi: | InChI=1S/C22H24O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,23-24H,1-6H2/t15-,16+ | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol |
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 | | 5J0 | | Name: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol | | Formula: | C22 H24 O2 | | SMILES: | C1CCC2CCCC1C/2=C(/c3cccc(c3)O)c4ccc(cc4)O | | InChi: | InChI=1S/C22H24O2/c23-19-12-10-17(11-13-19)22(18-8-3-9-20(24)14-18)21-15-4-1-5-16(21)7-2-6-15/h3,8-16,23-24H,1-2,4-7H2/b22-21-/t15-,16+ | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol |
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 | | 5J1 | | Name: | 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol | | Formula: | C22 H26 O2 | | SMILES: | C1CCC2CCCC1C2C(c3ccc(O)cc3)c4ccc(cc4)O | | InChi: | InChI=1S/C22H26O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)21-15-3-1-4-16(21)6-2-5-15/h7-16,21-24H,1-6H2/t15-,16+,21- | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol |
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 | | 5J2 | | Name: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | | Formula: | C19 H14 F N O3 | | SMILES: | Oc1ccc(cc1)C(=N/c2ccc(F)cc2)c3c(cc(cc3)O)O | | InChi: | InChI=1S/C19H14FNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+ | | Definition date: | 2015-09-28 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol |
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 | | 5JX | | Name: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C20 H21 F O2 | | SMILES: | Oc3ccc(/C(c1ccc(cc1)O)=C2/CCC(CC2)CF)cc3 | | InChi: | InChI=1S/C20H21FO2/c21-13-14-1-3-15(4-2-14)20(16-5-9-18(22)10-6-16)17-7-11-19(23)12-8-17/h5-12,14,22-23H,1-4,13H2 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5JY | | Name: | 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol | | Formula: | C21 H24 O2 | | SMILES: | Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3 | | InChi: | InChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol |
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 | | 5K0 | | Name: | 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol | | Formula: | C20 H22 O2 | | SMILES: | Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC2)C)cc3 | | InChi: | InChI=1S/C20H22O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-14,21-22H,2-5H2,1H3 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol |
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 | | 5K1 | | Name: | 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C20 H22 O2 S | | SMILES: | Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3/CC(CCC3)SC | | InChi: | InChI=1S/C20H22O2S/c1-23-19-4-2-3-16(13-19)20(14-5-9-17(21)10-6-14)15-7-11-18(22)12-8-15/h5-12,19,21-22H,2-4,13H2,1H3/t19-/m0/s1 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5K2 | | Name: | 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol | | Formula: | C23 H20 O2 | | SMILES: | C2Cc1ccccc1CC/2=C(c3ccc(cc3)O)c4ccc(cc4)O | | InChi: | InChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol |
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 | | 5K4 | | Name: | 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol | | Formula: | C21 H24 O2 | | SMILES: | Oc3ccc(/C(c1ccc(O)cc1)=C2/CCCC(CC)C2)cc3 | | InChi: | InChI=1S/C21H24O2/c1-2-15-4-3-5-18(14-15)21(16-6-10-19(22)11-7-16)17-8-12-20(23)13-9-17/h6-13,15,22-23H,2-5,14H2,1H3/t15-/m0/s1 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol |
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 | | 5K5 | | Name: | 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol | | Formula: | C23 H26 O2 | | SMILES: | C1/C(CCC2C1CCCC2)=C(/c3ccc(cc3)O)c4ccc(O)cc4 | | InChi: | InChI=1S/C23H26O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h7-14,16,19,24-25H,1-6,15H2/t16-,19-/m1/s1 | | Definition date: | 2015-10-06 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol |
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 | | 5K7 | | Name: | methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate | | Formula: | C22 H24 O4 | | SMILES: | Oc3ccc(C(=C1/CCC(CC(=O)OC)CC1)c2ccc(cc2)O)cc3 | | InChi: | InChI=1S/C22H24O4/c1-26-21(25)14-15-2-4-16(5-3-15)22(17-6-10-19(23)11-7-17)18-8-12-20(24)13-9-18/h6-13,15,23-24H,2-5,14H2,1H3 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate |
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 | | 5K8 | | Name: | dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | | Formula: | C24 H26 O6 | | SMILES: | Oc1ccc(cc1)C(=C2/CC(CCC2)C(C(=O)OC)C(OC)=O)c3ccc(cc3)O | | InChi: | InChI=1S/C24H26O6/c1-29-23(27)22(24(28)30-2)18-5-3-4-17(14-18)21(15-6-10-19(25)11-7-15)16-8-12-20(26)13-9-16/h6-13,18,22,25-26H,3-5,14H2,1-2H3/t18-/m0/s1 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate |
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 | | 5KA | | Name: | 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol | | Formula: | C25 H31 F O3 | | SMILES: | Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3CCC(CCOCCCCF)CC3 | | InChi: | InChI=1S/C25H31FO3/c26-16-1-2-17-29-18-15-19-3-5-20(6-4-19)25(21-7-11-23(27)12-8-21)22-9-13-24(28)14-10-22/h7-14,19,27-28H,1-6,15-18H2 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol |
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 | | 5KB | | Name: | 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol | | Formula: | C25 H24 O2 | | SMILES: | Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)c4ccccc4 | | InChi: | InChI=1S/C25H24O2/c26-23-13-9-19(10-14-23)25(20-11-15-24(27)16-12-20)22-8-4-7-21(17-22)18-5-2-1-3-6-18/h1-3,5-6,9-16,21,26-27H,4,7-8,17H2/t21-/m1/s1 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol |
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 | | 5KD | | Name: | 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C26 H26 O3 | | SMILES: | Oc1ccc(cc1)C(=C2/CC(CCC2)c3ccc(OC)cc3)c4ccc(cc4)O | | InChi: | InChI=1S/C26H26O3/c1-29-25-15-9-18(10-16-25)21-3-2-4-22(17-21)26(19-5-11-23(27)12-6-19)20-7-13-24(28)14-8-20/h5-16,21,27-28H,2-4,17H2,1H3/t21-/m0/s1 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5KE | | Name: | 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C25 H24 O3 | | SMILES: | Oc1ccc(cc1)/C(c2ccc(O)cc2)=C4/CCCC(c3ccc(cc3)O)C4 | | InChi: | InChI=1S/C25H24O3/c26-22-10-4-17(5-11-22)20-2-1-3-21(16-20)25(18-6-12-23(27)13-7-18)19-8-14-24(28)15-9-19/h4-15,20,26-28H,1-3,16H2/t20-/m0/s1 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5KF | | Name: | 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C21 H24 O3 | | SMILES: | Oc1ccc(cc1)C(=C2CCCC(C2)CCO)c3ccc(cc3)O | | InChi: | InChI=1S/C21H24O3/c22-13-12-15-2-1-3-18(14-15)21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,15,22-24H,1-3,12-14H2/t15-/m1/s1 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5KG | | Name: | 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | | Formula: | C21 H24 O3 | | SMILES: | c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3CCC(CC3)CCO | | InChi: | InChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2 | | Definition date: | 2015-10-08 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol |
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 | | 5KP | | Name: | N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide | | Formula: | C24 H24 Cl N5 O2 | | SMILES: | Cc1c(cccc1NC(=O)CCCN2C(=O)c3c(C(=N2)C)c(C)n(n3)c4ccccc4)Cl | | InChi: | InChI=1S/C24H24ClN5O2/c1-15-19(25)11-7-12-20(15)26-21(31)13-8-14-29-24(32)23-22(16(2)27-29)17(3)30(28-23)18-9-5-4-6-10-18/h4-7,9-12H,8,13-14H2,1-3H3,(H,26,31) | | Definition date: | 2015-10-13 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide |
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 | | 3LH | | Name: | N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | | Formula: | C25 H21 N5 O2 | | SMILES: | O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC | | InChi: | InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31) | | Definition date: | 2014-09-12 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide |
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 | | 3O6 | | Name: | 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea | | Formula: | C18 H13 F5 N4 O | | SMILES: | FC(F)(F)c2nn(c(c2c1ccc(F)cc1)NC(=O)Nc3ccc(F)cc3)C | | InChi: | InChI=1S/C18H13F5N4O/c1-27-16(25-17(28)24-13-8-6-12(20)7-9-13)14(15(26-27)18(21,22)23)10-2-4-11(19)5-3-10/h2-9H,1H3,(H2,24,25,28) | | Definition date: | 2014-09-29 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea |
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 | | 6FB | | Name: | pyrido[3,4-g]quinazolin-2-amine | | Formula: | C11 H8 N4 | | SMILES: | c2c1cnc(N)nc1cc3c2cncc3 | | InChi: | InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15) | | Definition date: | 2016-03-30 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | pyrido[3,4-g]quinazolin-2-amine |
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