 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | J20 | | Name: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde | | Formula: | C36 H26 O5 | | SMILES: | COc1ccc(cc1)C2(c3ccc(OC)cc3)c4cc(O)ccc4c5ccc(C=O)c(C#Cc6ccc(O)cc6)c25 | | InChi: | InChI=1S/C36H26O5/c1-40-29-14-7-25(8-15-29)36(26-9-16-30(41-2)17-10-26)34-21-28(39)13-20-32(34)33-19-6-24(22-37)31(35(33)36)18-5-23-3-11-27(38)12-4-23/h3-4,6-17,19-22,38-39H,1-2H3 | | Definition date: | 2016-11-25 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde |
|
 | | 7SJ | | Name: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde | | Formula: | C19 H20 N4 O3 | | SMILES: | COc3cc(C=O)c(OCc1cccnc1c2ccnn2C(C)C)cn3 | | InChi: | InChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-20-19)12-26-17-10-21-18(25-3)9-15(17)11-24/h4-11,13H,12H2,1-3H3 | | Definition date: | 2016-12-05 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde |
|
 | | 7TL | | Name: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid | | Formula: | C21 H18 Cl F3 N4 O4 S | | SMILES: | COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(=N[CH]1c3ccc(F)cc3Cl)c4sccn4 | | InChi: | InChI=1S/C21H18ClF3N4O4S/c1-33-20(32)15-13(8-29-9-21(24,25)7-14(29)19(30)31)27-17(18-26-4-5-34-18)28-16(15)11-3-2-10(23)6-12(11)22/h2-6,14,16H,7-9H2,1H3,(H,27,28)(H,30,31)/t14-,16-/m0/s1 | | Definition date: | 2016-12-07 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | (2~{S})-1-[[(4~{R})-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid |
|
 | | 74D | | Name: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide | | Formula: | C28 H36 F2 N4 O3 | | SMILES: | COC1=CC(=NC(=O)[CH]1CNC(=O)c2c(C)n([CH](C)C3CCN(CC3)CC(C)(F)F)c4ccccc24)C | | InChi: | InChI=1S/C28H36F2N4O3/c1-17-14-24(37-5)22(26(35)32-17)15-31-27(36)25-19(3)34(23-9-7-6-8-21(23)25)18(2)20-10-12-33(13-11-20)16-28(4,29)30/h6-9,14,18,20,22H,10-13,15-16H2,1-5H3,(H,31,36)/t18-,22+/m1/s1 | | Definition date: | 2016-08-23 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide |
|
 | | 753 | | Name: | 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid | | Formula: | C17 H17 N3 O2 S | | SMILES: | c1(C)c(C(=O)O)sc2c1c(nc(n2)CCc3ccccc3)NC | | InChi: | InChI=1S/C17H17N3O2S/c1-10-13-15(18-2)19-12(9-8-11-6-4-3-5-7-11)20-16(13)23-14(10)17(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)(H,18,19,20) | | Definition date: | 2016-08-25 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid |
|
 | | 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 |
|
 | | 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 |
|
 | | 7F9 | | Name: | ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide | | Formula: | C18 H20 N2 O5 | | SMILES: | CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c2ccc(OC)cc2 | | InChi: | InChI=1S/C18H20N2O5/c1-3-19-17(23)11-20(12-4-7-14(25-2)8-5-12)18(24)15-9-6-13(21)10-16(15)22/h4-10,21-22H,3,11H2,1-2H3,(H,19,23) | | Definition date: | 2016-10-18 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide |
|
 | | 7FE | | Name: | ~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide | | Formula: | C30 H29 Cl N4 O3 | | SMILES: | Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CN4CCCC4)cc3)C(=O)c5ccc(O)cc5O | | InChi: | InChI=1S/C30H29ClN4O3/c1-20-17-32-30(31)33-28(20)23-8-10-24(11-9-23)35(29(38)26-13-12-25(36)16-27(26)37)19-22-6-4-21(5-7-22)18-34-14-2-3-15-34/h4-13,16-17,36-37H,2-3,14-15,18-19H2,1H3 | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | ~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide |
|
 | | 7FF | | Name: | methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate | | Formula: | C11 H14 N2 O2 | | SMILES: | COC(=O)N1CCCc2cc(N)ccc12 | | InChi: | InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3 | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate |
|
 | | 7FU | | Name: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide | | Formula: | C8 H9 N5 O S | | SMILES: | NNC(=O)c1ccc2nc(NN)sc2c1 | | InChi: | InChI=1S/C8H9N5OS/c9-12-7(14)4-1-2-5-6(3-4)15-8(11-5)13-10/h1-3H,9-10H2,(H,11,13)(H,12,14) | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 2-diazanyl-1,3-benzothiazole-6-carbohydrazide |
|
 | | 7FV | | Name: | [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone | | Formula: | C27 H24 N2 O3 | | SMILES: | C[CH]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C | | InChi: | InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1 | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone |
|
 | | 7FW | | Name: | ~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide | | Formula: | C31 H26 N4 O4 | | SMILES: | CN(Cc1ccc2nccnc2c1)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(O)cc5O | | InChi: | InChI=1S/C31H26N4O4/c1-34(19-22-7-14-27-28(17-22)33-16-15-32-27)30(38)23-8-10-24(11-9-23)35(20-21-5-3-2-4-6-21)31(39)26-13-12-25(36)18-29(26)37/h2-18,36-37H,19-20H2,1H3 | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | ~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide |
|
 | | 7FX | | Name: | [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone | | Formula: | C14 H12 F3 N3 O3 | | SMILES: | Oc1ccc(c(O)c1)C(=O)N2CC[CH](n3nccc23)C(F)(F)F | | InChi: | InChI=1S/C14H12F3N3O3/c15-14(16,17)11-4-6-19(12-3-5-18-20(11)12)13(23)9-2-1-8(21)7-10(9)22/h1-3,5,7,11,21-22H,4,6H2/t11-/m0/s1 | | Definition date: | 2016-10-19 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone |
|
 | | 7HF | | Name: | 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea | | Formula: | C26 H31 F2 N5 O3 | | SMILES: | CCOc1nn(c2ccccc2)c(NC(=O)N[CH]3CN(CCOC)C[CH]3c4ccc(F)c(F)c4)c1C | | InChi: | InChI=1S/C26H31F2N5O3/c1-4-36-25-17(2)24(33(31-25)19-8-6-5-7-9-19)30-26(34)29-23-16-32(12-13-35-3)15-20(23)18-10-11-21(27)22(28)14-18/h5-11,14,20,23H,4,12-13,15-16H2,1-3H3,(H2,29,30,34)/t20-,23+/m0/s1 | | Definition date: | 2016-10-31 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 1-[(3~{S},4~{R})-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea |
|
 | | 7L6 | | Name: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine | | Formula: | C20 H29 N5 O3 | | SMILES: | c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4 | | InChi: | InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23) | | Definition date: | 2016-11-08 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine |
|
