 | | H32 | | Name: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid | | Formula: | C15 H10 F N O4 | | SMILES: | OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3 | | InChi: | InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21) | | Definition date: | 2016-07-29 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
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 | | XT3 | | Name: | 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile | | Formula: | C22 H22 N4 O2 | | SMILES: | Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N | | InChi: | InChI=1S/C22H22N4O2/c23-13-18-8-4-5-9-21(18)28-22-11-10-16(12-20(22)27)14-26-15-19(24-25-26)17-6-2-1-3-7-17/h4-5,8-12,15,17,27H,1-3,6-7,14H2 | | Definition date: | 2017-01-10 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile |
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 | | XT5 | | Name: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol | | Formula: | C19 H19 N3 O2 | | SMILES: | Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O | | InChi: | InChI=1S/C19H19N3O2/c1-13-4-2-3-5-18(13)24-19-9-6-14(10-17(19)23)11-22-12-16(20-21-22)15-7-8-15/h2-6,9-10,12,15,23H,7-8,11H2,1H3 | | Definition date: | 2017-01-12 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol |
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 | | XTV | | Name: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile | | Formula: | C19 H16 N4 O2 | | SMILES: | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N | | InChi: | InChI=1S/C19H16N4O2/c20-10-15-3-1-2-4-18(15)25-19-8-5-13(9-17(19)24)11-23-12-16(21-22-23)14-6-7-14/h1-5,8-9,12,14,24H,6-7,11H2 | | Definition date: | 2017-01-12 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile |
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 | | XTW | | Name: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol | | Formula: | C18 H16 Cl N3 O2 | | SMILES: | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4Cl | | InChi: | InChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2 | | Definition date: | 2017-01-12 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol |
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 | | T92 | | Name: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate | | Formula: | C24 H25 Cl N6 O2 | | SMILES: | CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Nc3ccccc3OC([C@H]=C)=O)n4 | | InChi: | InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29) | | Definition date: | 2016-04-21 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate |
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 | | R8C | | Name: | 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide | | Formula: | C24 H19 F4 N3 O2 | | SMILES: | CC(C(Oc1cc2c(cc1)n(nc2)c3ccc(F)cc3)c4ccccc4)NC(=O)C(F)(F)F | | InChi: | InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1 | | Definition date: | 2016-06-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide |
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 | | QJS | | Name: | 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid | | Formula: | C19 H15 F N2 O3 | | SMILES: | OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[CH]3C[CH]3c4ccccc4 | | InChi: | InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)/t12-,13+/m1/s1 | | Definition date: | 2017-01-06 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid |
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 | | 7EB | | Name: | 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C28 H28 Br N O6 S | | SMILES: | c1(O)ccc(cc1)C=2C4CC(C(C=2c3ccc(cc3)OCCN(C)C)O4)S(Oc5ccc(Br)cc5)(=O)=O | | InChi: | InChI=1S/C28H28BrNO6S/c1-30(2)15-16-34-22-11-5-19(6-12-22)27-26(18-3-9-21(31)10-4-18)24-17-25(28(27)35-24)37(32,33)36-23-13-7-20(29)8-14-23/h3-14,24-25,28,31H,15-17H2,1-2H3/t24-,25+,28+/m0/s1 | | Definition date: | 2016-10-14 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | 7EC | | Name: | 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C31 H32 Br N O6 S | | SMILES: | c1(O)ccc(cc1)C4=C(c3ccc(OCCN2CCCCC2)cc3)C5C(CC4O5)S(=O)(Oc6ccc(cc6)Br)=O | | InChi: | InChI=1S/C31H32BrNO6S/c32-23-8-14-26(15-9-23)39-40(35,36)28-20-27-29(21-4-10-24(34)11-5-21)30(31(28)38-27)22-6-12-25(13-7-22)37-19-18-33-16-2-1-3-17-33/h4-15,27-28,31,34H,1-3,16-20H2/t27-,28+,31+/m0/s1 | | Definition date: | 2016-10-14 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | 67K | | Name: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde | | Formula: | C11 H8 N2 O2 | | SMILES: | c2c(c1nc(C=O)cc(c1)O)nccc2 | | InChi: | InChI=1S/C11H8N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-7H,(H,13,15) | | Definition date: | 2016-02-11 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde |
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 | | 67L | | Name: | 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol | | Formula: | C11 H10 N2 O2 | | SMILES: | c1cccnc1c2cc(O)cc(n2)CO | | InChi: | InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15) | | Definition date: | 2016-02-11 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol |
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 | | 9ZQ | | Name: | Ru(phen)2(dppz-11,12-Me2) | | Formula: | C44 H30 N8 Ru | | SMILES: | Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C | | InChi: | InChI=1S/C20H14N4.2C12H8N2.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17 | | Definition date: | 2016-07-05 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 |
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 | | 6TJ | | Name: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid | | Formula: | C15 H11 N O3 | | SMILES: | OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3 | | InChi: | InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19) | | Definition date: | 2016-06-21 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid |
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 | | 6TU | | Name: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid | | Formula: | C19 H17 N O4 | | SMILES: | COc1cccc(c1)N2[CH](CC=C)c3cccc(C(O)=O)c3C2=O | | InChi: | InChI=1S/C19H17NO4/c1-3-6-16-14-9-5-10-15(19(22)23)17(14)18(21)20(16)12-7-4-8-13(11-12)24-2/h3-5,7-11,16H,1,6H2,2H3,(H,22,23)/t16-/m0/s1 | | Definition date: | 2016-06-22 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid |
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 | | 6UW | | Name: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid | | Formula: | C16 H11 Cl F N O3 | | SMILES: | OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12 | | InChi: | InChI=1S/C16H11ClFNO3/c17-12-5-2-6-13(18)11(12)8-19-7-9-3-1-4-10(16(21)22)14(9)15(19)20/h1-6H,7-8H2,(H,21,22) | | Definition date: | 2016-06-29 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
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 | | 6WL | | Name: | 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol | | Formula: | C15 H11 F3 N2 O2 | | SMILES: | Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F | | InChi: | InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3 | | Definition date: | 2016-07-11 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol |
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 | | 6WS | | Name: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene | | Formula: | C14 H8 Cl4 | | SMILES: | Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H | | Definition date: | 2016-07-11 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene |
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 | | 6WT | | Name: | 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene | | Formula: | C14 H9 Cl5 | | SMILES: | Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl | | InChi: | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H | | Definition date: | 2016-07-11 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene |
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 | | 6X8 | | Name: | 2-iodanylphenol | | Formula: | C6 H5 I O | | SMILES: | Oc1ccccc1I | | InChi: | InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H | | Definition date: | 2016-07-12 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-iodanylphenol |
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 | | 70S | | Name: | 2H-indazol-5-amine | | Formula: | C7 H7 N3 | | SMILES: | Nc1ccc2c(c1)cnn2 | | InChi: | InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10) | | Definition date: | 2016-08-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2H-indazol-5-amine |
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 | | 70T | | Name: | 2-methyl-5-nitro-1H-indole | | Formula: | C9 H8 N2 O2 | | SMILES: | c2c1cc(ccc1nc2C)[N+]([O-])=O | | InChi: | InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3 | | Definition date: | 2016-08-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-methyl-5-nitro-1H-indole |
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 | | 70V | | Name: | 2-methylcyclohexane-1,3-dione | | Formula: | C7 H10 O2 | | SMILES: | CC1C(CCCC1=O)=O | | InChi: | InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3 | | Definition date: | 2016-08-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 2-methylcyclohexane-1,3-dione |
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 | | 70W | | Name: | tert-butyl 4-aminopiperidine-1-carboxylate | | Formula: | C10 H20 N2 O2 | | SMILES: | C(C)(C)(C)OC(N1CCC(N)CC1)=O | | InChi: | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3 | | Definition date: | 2016-08-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | tert-butyl 4-aminopiperidine-1-carboxylate |
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 | | 718 | | Name: | 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one | | Formula: | C10 H10 O2 | | SMILES: | c21C(=O)CCCc1cc(cc2)O | | InChi: | InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2 | | Definition date: | 2016-08-09 | | Last modified: | 2017-02-10 | | Release date: | 2017-02-15 | | Identifier: | 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one |
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