 | | 7DN | | Name: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid | | Formula: | C30 H35 N3 O3 | | SMILES: | OC(=O)c5c(CCC4C(NC(C3CCN(c1ccc2c(n1)c(ccc2)C)CC3)=O)CCC4)cccc5 | | InChi: | InChI=1S/C30H35N3O3/c1-20-6-4-9-23-14-15-27(32-28(20)23)33-18-16-24(17-19-33)29(34)31-26-11-5-8-22(26)13-12-21-7-2-3-10-25(21)30(35)36/h2-4,6-7,9-10,14-15,22,24,26H,5,8,11-13,16-19H2,1H3,(H,31,34)(H,35,36)/t22-,26-/m0/s1 | | Definition date: | 2016-10-11 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid |
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 | | 7GF | | Name: | methyl (2Z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate | | Formula: | C13 H13 Br N2 O3 S | | SMILES: | COC(=O)C(CN)=C1SCC(=O)N1c2ccc(Br)cc2 | | InChi: | InChI=1S/C13H13BrN2O3S/c1-19-13(18)10(6-15)12-16(11(17)7-20-12)9-4-2-8(14)3-5-9/h2-5H,6-7,15H2,1H3/b12-10- | | Definition date: | 2016-10-20 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | methyl (2~{Z})-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate |
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 | | 755 | | Name: | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid | | Formula: | C18 H25 Cl N2 O3 | | SMILES: | OC(=O)c2c(NCC1C(CCC1)NC(C(C)(C)C)=O)cc(Cl)cc2 | | InChi: | InChI=1S/C18H25ClN2O3/c1-18(2,3)17(24)21-14-6-4-5-11(14)10-20-15-9-12(19)7-8-13(15)16(22)23/h7-9,11,14,20H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)/t11-,14-/m0/s1 | | Definition date: | 2016-08-25 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid |
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 | | 758 | | Name: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide | | Formula: | C16 H19 Cl N4 O2 | | SMILES: | c1(ccc(c(c1)C(=O)Nc2nccn2)Cl)CNC(=O)C(C)(C)C | | InChi: | InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22) | | Definition date: | 2016-08-25 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide |
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 | | 7LF | | Name: | 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium | | Formula: | C22 H18 F N2 O | | SMILES: | [n+]3(c(c1ccc(F)cc1)c2cccn2cc3)CC(=O)c4ccc(cc4)C | | InChi: | InChI=1S/C22H18FN2O/c1-16-4-6-17(7-5-16)21(26)15-25-14-13-24-12-2-3-20(24)22(25)18-8-10-19(23)11-9-18/h2-14H,15H2,1H3/q+1 | | Definition date: | 2016-11-10 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium |
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 | | 6F3 | | Name: | N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide | | Formula: | C14 H12 N2 O4 S | | SMILES: | CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2 | | InChi: | InChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17) | | Definition date: | 2016-05-11 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | ~{N}-methyl-3-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzenesulfonamide |
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 | | 6H0 | | Name: | ~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide | | Formula: | C19 H23 N3 O5 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(OCCCCNC=O)c2 | | InChi: | InChI=1S/C19H23N3O5S/c20-28(25,26)18-8-6-16(7-9-18)19(24)22-13-15-4-3-5-17(12-15)27-11-2-1-10-21-14-23/h3-9,12,14H,1-2,10-11,13H2,(H,21,23)(H,22,24)(H2,20,25,26) | | Definition date: | 2016-05-24 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | ~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide |
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 | | 6K0 | | Name: | N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea | | Formula: | C22 H19 F2 N7 O2 | | SMILES: | c1n(C(C)C)c4c(c1C(c3ccnc(NC(Nc2c(cc(cc2)F)F)=O)c3)=O)c(N)ncn4 | | InChi: | InChI=1S/C22H19F2N7O2/c1-11(2)31-9-14(18-20(25)27-10-28-21(18)31)19(32)12-5-6-26-17(7-12)30-22(33)29-16-4-3-13(23)8-15(16)24/h3-11H,1-2H3,(H2,25,27,28)(H2,26,29,30,33) | | Definition date: | 2016-04-20 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea |
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 | | 6K1 | | Name: | N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide | | Formula: | C23 H21 Cl N6 O2 | | SMILES: | c2c(c1c(ncnc1n2C(C)C)N)C(=O)c4cncc(NC(Cc3ccc(cc3)Cl)=O)c4 | | InChi: | InChI=1S/C23H21ClN6O2/c1-13(2)30-11-18(20-22(25)27-12-28-23(20)30)21(32)15-8-17(10-26-9-15)29-19(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,29,31)(H2,25,27,28) | | Definition date: | 2016-04-20 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide |
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 | | 6K2 | | Name: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide | | Formula: | C24 H20 N6 O2 | | SMILES: | c1n(C(C)C)c4c(c1C(c2cncc(c2)NC(=O)Cc3ccc(cc3)C#N)=O)cncn4 | | InChi: | InChI=1S/C24H20N6O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)18-8-19(11-26-10-18)29-22(31)7-16-3-5-17(9-25)6-4-16/h3-6,8,10-15H,7H2,1-2H3,(H,29,31) | | Definition date: | 2016-04-20 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide |
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 | | 6K4 | | Name: | N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | | Formula: | C23 H22 Cl N7 O3 | | SMILES: | C(O)C(C)(C)n2cc(c1cnc(N)nc12)C(=O)c4cc(NC(Cc3ncc(cc3)Cl)=O)cnc4 | | InChi: | InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30) | | Definition date: | 2016-04-20 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide |
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 | | 6NS | | Name: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid | | Formula: | C18 H19 F2 N5 O2 | | SMILES: | CC(C)(C)[CH](CC(O)=O)Nc1nc(ncc1F)c2c[nH]c3ncc(F)cc23 | | InChi: | InChI=1S/C18H19F2N5O2/c1-18(2,3)13(5-14(26)27)24-17-12(20)8-23-16(25-17)11-7-22-15-10(11)4-9(19)6-21-15/h4,6-8,13H,5H2,1-3H3,(H,21,22)(H,26,27)(H,23,24,25)/t13-/m1/s1 | | Definition date: | 2016-05-11 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid |
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 | | 6PV | | Name: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide | | Formula: | C32 H34 N6 O4 | | SMILES: | c2(ncc(c(OCC1CCNCC1)n2)c4ccc(C(=O)NCC(=O)Nc3ccccc3)cc4)Nc5cccc(OC)c5 | | InChi: | InChI=1S/C32H34N6O4/c1-41-27-9-5-8-26(18-27)37-32-35-19-28(31(38-32)42-21-22-14-16-33-17-15-22)23-10-12-24(13-11-23)30(40)34-20-29(39)36-25-6-3-2-4-7-25/h2-13,18-19,22,33H,14-17,20-21H2,1H3,(H,34,40)(H,36,39)(H,35,37,38) | | Definition date: | 2016-05-18 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide |
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 | | 8KY | | Name: | {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid | | Formula: | C21 H23 Cl N2 O4 | | SMILES: | CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OCC(=O)O)c(Cl)cc2 | | InChi: | InChI=1S/C21H23ClN2O4/c1-13(2)14-6-5-7-15(10-14)21(3,4)24-20(27)23-16-8-9-17(22)18(11-16)28-12-19(25)26/h5-11H,1,12H2,2-4H3,(H,25,26)(H2,23,24,27) | | Definition date: | 2017-02-13 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid |
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 | | 8L1 | | Name: | N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea | | Formula: | C22 H20 Cl F3 N4 O2 S | | SMILES: | c1(cccc(C(C)=NO)c1)C(C)(C)NC(=O)Nc2cc(c(cc2)Cl)c3nc(cs3)C(F)(F)F | | InChi: | InChI=1S/C22H20ClF3N4O2S/c1-12(30-32)13-5-4-6-14(9-13)21(2,3)29-20(31)27-15-7-8-17(23)16(10-15)19-28-18(11-33-19)22(24,25)26/h4-11,32H,1-3H3,(H2,27,29,31)/b30-12+ | | Definition date: | 2017-02-13 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea |
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 | | 8L4 | | Name: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide | | Formula: | C17 H19 Cl N4 O2 | | SMILES: | C(=N)(c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO | | InChi: | InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23) | | Definition date: | 2017-02-13 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide |
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 | | 8L7 | | Name: | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine | | Formula: | C24 H30 Cl N3 O5 | | SMILES: | c1(cccc(c1)C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC(C(C2O)O)CO)c3)=O)C | | InChi: | InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21-,22+/m1/s1 | | Definition date: | 2017-02-13 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine |
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 | | 8P5 | | Name: | azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium | | Formula: | C13 H23 N4 O5 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2[CH]1[CH]2C(=O)NCCCCN=[N+]=N | | InChi: | InChI=1S/C13H22N4O5/c14-17-16-4-2-1-3-15-13(22)9-7-6(5-18)10(19)12(21)11(20)8(7)9/h6-12,14,18-21H,1-5H2/p+1/t6-,7+,8-,9-,10+,11-,12-/m0/s1 | | Definition date: | 2017-02-16 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium |
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 | | DU1 | | Name: | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride | | Formula: | C24 H30 F N5 O5 S | | SMILES: | O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4 | | InChi: | InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) | | Definition date: | 2017-01-12 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride |
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 | | GJV | | Name: | 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine | | Formula: | C13 H21 N8 O3 | | SMILES: | n1c(c2c(nc1)n(cn2)C3C(C(O)C(O3)CCCNC(N)=[NH2+])O)N | | InChi: | InChI=1S/C13H20N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h4-6,8-9,12,22-23H,1-3H2,(H2,14,18,19)(H4,15,16,17)/p+1/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2016-02-17 | | Last modified: | 2017-02-24 | | Release date: | 2017-03-01 | | Identifier: | 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine |
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 | | K89 | | Name: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide | | Formula: | C18 H16 F4 N2 O4 S | | SMILES: | OC1CCN(CC1)[S](=O)(=O)c2cc(ccc2F)C(=O)Nc3cc(F)c(F)c(F)c3 | | InChi: | InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26) | | Definition date: | 2016-09-06 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide |
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 | | WP1 | | Name: | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide | | Formula: | C11 H13 N O2 | | SMILES: | C1C(C)(C)Oc2c1cccc2C(N)=O | | InChi: | InChI=1S/C11H13NO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H2,12,13) | | Definition date: | 2017-02-07 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide |
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 | | 86M | | Name: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde | | Formula: | C15 H13 N3 O3 | | SMILES: | c2cn3ccnc3c(COc1cnc(OC)cc1C=O)c2 | | InChi: | InChI=1S/C15H13N3O3/c1-20-14-7-12(9-19)13(8-17-14)21-10-11-3-2-5-18-6-4-16-15(11)18/h2-9H,10H2,1H3 | | Definition date: | 2017-01-09 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde |
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 | | 79C | | Name: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C27 H35 F2 N7 O3 | | SMILES: | c2c(C(=O)NC1CCN(CC1)C)ccc(c2OC)Nc3ncc4c(n3)N(CC(C(N4C)=O)(F)F)C5CCCC5 | | InChi: | InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33) | | Definition date: | 2016-09-15 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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 | | 79D | | Name: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C30 H37 N9 O2 | | SMILES: | C1(CCCC1)N5C(CC)c6n(c4c5nc(Nc2ccc(cc2OC)C(NC3CCN(C)CC3)=O)nc4)cnc6C#N | | InChi: | InChI=1S/C30H37N9O2/c1-4-24-27-23(16-31)33-18-38(27)25-17-32-30(36-28(25)39(24)21-7-5-6-8-21)35-22-10-9-19(15-26(22)41-3)29(40)34-20-11-13-37(2)14-12-20/h9-10,15,17-18,20-21,24H,4-8,11-14H2,1-3H3,(H,34,40)(H,32,35,36)/t24-/m1/s1 | | Definition date: | 2016-09-15 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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