 | | 6VU | | Name: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide | | Formula: | C27 H41 N5 O4 | | SMILES: | COCCCCn1c2ccccc2nc1C(=O)N(CC(C)C)[CH]3CNC[CH](C3)C(=O)N4CCOCC4 | | InChi: | InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1 | | Definition date: | 2016-07-06 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide |
|
 | | J24 | | Name: | ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate | | Formula: | C22 H23 N O5 | | SMILES: | O=C(OCC)c2c3c(c(O)ccc3oc2c1ccccc1)CN4CCOCC4 | | InChi: | InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3 | | Definition date: | 2014-01-17 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate |
|
 | | 9W4 | | Name: | 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide | | Formula: | C22 H19 N5 O4 S | | SMILES: | N(C(=O)c1ccc(cc1)CN2C(=O)C=NC2=O)c4ccc3nc(sc3c4)N5CCOCC5 | | InChi: | InChI=1S/C22H19N5O4S/c28-19-12-23-21(30)27(19)13-14-1-3-15(4-2-14)20(29)24-16-5-6-17-18(11-16)32-22(25-17)26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,24,29) | | Definition date: | 2017-06-15 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide |
|
 | | 9BP | | Name: | 4-amino-N-(2-methylpropanoyl)-D-isovaline | | Formula: | C9 H18 N2 O3 | | SMILES: | O=C(NC(C(=O)O)(C)CCN)C(C)C | | InChi: | InChI=1S/C9H18N2O3/c1-6(2)7(12)11-9(3,4-5-10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t9-/m1/s1 | | Definition date: | 2017-04-17 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | 4-amino-N-(2-methylpropanoyl)-D-isovaline |
|
 | | 9F8 | | Name: | 3-(3-methylindol-1-yl)propanoic acid | | Formula: | C12 H13 N O2 | | SMILES: | Cc1cn(CCC(O)=O)c2ccccc12 | | InChi: | InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15) | | Definition date: | 2017-05-16 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | 3-(3-methylindol-1-yl)propanoic acid |
|
 | | 8RW | | Name: | (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | | Formula: | C22 H20 F3 N5 O4 | | SMILES: | NC(=O)n1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | | InChi: | InChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-6-3-5-13(11-14)27-19(31)18-9-4-10-29(18)21(33)28-16-12-30(20(26)32)17-8-2-1-7-15(16)17/h1-3,5-8,11-12,18H,4,9-10H2,(H2,26,32)(H,27,31)(H,28,33)/t18-/m0/s1 | | Definition date: | 2017-02-28 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
|
 | | 8RZ | | Name: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide | | Formula: | C23 H20 F3 N5 O4 | | SMILES: | NC(=O)n1cc(NC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(OC(F)(F)F)c4)c5ccccc15 | | InChi: | InChI=1S/C23H20F3N5O4/c24-23(25,26)35-14-5-3-4-13(10-14)28-20(32)19-9-12-8-18(12)31(19)22(34)29-16-11-30(21(27)33)17-7-2-1-6-15(16)17/h1-7,10-12,18-19H,8-9H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-,19+/m1/s1 | | Definition date: | 2017-02-28 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide |
|
 | | 8S2 | | Name: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | | Formula: | C22 H21 F3 N6 O4 | | SMILES: | N[CH]1C[CH](N(C1)C(=O)Nc2cn(C(N)=O)c3ccccc23)C(=O)Nc4cccc(OC(F)(F)F)c4 | | InChi: | InChI=1S/C22H21F3N6O4/c23-22(24,25)35-14-5-3-4-13(9-14)28-19(32)18-8-12(26)10-31(18)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10,26H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1 | | Definition date: | 2017-03-01 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
|
 | | 8S5 | | Name: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | | Formula: | C22 H19 F4 N5 O4 | | SMILES: | NC(=O)n1cc(NC(=O)N2C[CH](F)C[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | | InChi: | InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18+/m1/s1 | | Definition date: | 2017-03-01 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
|
 | | 92D | | Name: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide | | Formula: | C26 H30 N4 O2 | | SMILES: | c1(ccc(cc1c3cc(N2CCOCC2)ncn3)C(Nc4cc(ccc4)C(C)(C)C)=O)C | | InChi: | InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31) | | Definition date: | 2017-03-29 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide |
|
 | | 92J | | Name: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide | | Formula: | C28 H29 F3 N4 O4 | | SMILES: | c1(ncc(cc1c3cnc(c(N2CCOCC2)c3)OC4CCOCC4)NC(c5cccc(C(F)(F)F)c5)=O)C | | InChi: | InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | | Definition date: | 2017-03-29 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide |
|
 | | QOL | | Name: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde | | Formula: | C14 H16 N2 O4 | | SMILES: | Nc1cccc2c(OCC(CO)CO)cc(C=O)nc12 | | InChi: | InChI=1S/C14H16N2O4/c15-12-3-1-2-11-13(20-8-9(5-17)6-18)4-10(7-19)16-14(11)12/h1-4,7,9,17-18H,5-6,8,15H2 | | Definition date: | 2016-06-03 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
|
 | | 7ZA | | Name: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | | Formula: | C32 H36 N4 O3 | | SMILES: | CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | | InChi: | InChI=1S/C32H36N4O3/c1-4-38-29-20-24(12-15-28(29)39-21(2)3)30(35-25-13-14-26-23(19-25)16-17-34-31(26)33)32(37)36-18-8-11-27(36)22-9-6-5-7-10-22/h5-7,9-10,12-17,19-21,27,30,35H,4,8,11,18H2,1-3H3,(H2,33,34)/t27-,30-/m1/s1 | | Definition date: | 2016-12-13 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
|
 | | QCL | | Name: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde | | Formula: | C16 H20 N2 O2 | | SMILES: | CCC(CC)COc1cc(C=O)nc2c(N)cccc12 | | InChi: | InChI=1S/C16H20N2O2/c1-3-11(4-2)10-20-15-8-12(9-19)18-16-13(15)6-5-7-14(16)17/h5-9,11H,3-4,10,17H2,1-2H3 | | Definition date: | 2016-06-01 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
|
 | | 7XJ | | Name: | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea | | Formula: | C17 H16 N4 O | | SMILES: | Nc1nccc2cc(NC(=O)NCc3ccccc3)ccc12 | | InChi: | InChI=1S/C17H16N4O/c18-16-15-7-6-14(10-13(15)8-9-19-16)21-17(22)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)(H2,20,21,22) | | Definition date: | 2016-12-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea |
|
 | | 7XM | | Name: | isoquinoline-1,6-diamine | | Formula: | C9 H9 N3 | | SMILES: | Nc1ccc2c(ccnc2N)c1 | | InChi: | InChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12) | | Definition date: | 2016-12-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | isoquinoline-1,6-diamine |
|
 | | 7Y7 | | Name: | 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide | | Formula: | C26 H21 N7 O4 | | SMILES: | Oc1n(ncc1C(=O)Nc2ccc3N=CNC(=O)c3c2)c4cccc(CNC(=O)Nc5ccccc5)c4 | | InChi: | InChI=1S/C26H21N7O4/c34-23-20-12-18(9-10-22(20)28-15-29-23)31-24(35)21-14-30-33(25(21)36)19-8-4-5-16(11-19)13-27-26(37)32-17-6-2-1-3-7-17/h1-12,14-15,36H,13H2,(H,31,35)(H2,27,32,37)(H,28,29,34) | | Definition date: | 2016-12-13 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 5-oxidanyl-~{N}-(4-oxidanylidene-3~{H}-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide |
|
 | | 6RF | | Name: | 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile | | Formula: | C27 H25 F N8 O | | SMILES: | C[CH](Nc1ncnc(N)c1C#N)c2nc3ccc(F)cc3c(C(=O)N4CCNCC4)c2c5ccccc5 | | InChi: | InChI=1S/C27H25FN8O/c1-16(34-26-20(14-29)25(30)32-15-33-26)24-22(17-5-3-2-4-6-17)23(27(37)36-11-9-31-10-12-36)19-13-18(28)7-8-21(19)35-24/h2-8,13,15-16,31H,9-12H2,1H3,(H3,30,32,33,34)/t16-/m0/s1 | | Definition date: | 2016-06-02 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile |
|
 | | 99N | | Name: | [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate | | Formula: | C37 H56 N2 O7 S | | SMILES: | C[CH](CCC(=O)NCc1ccc(OCCN2CCOCC2)cc1)[CH]3CC[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]34C)O[S](O)(=O)=O | | InChi: | InChI=1S/C37H56N2O7S/c1-26(4-13-35(40)38-25-27-5-8-29(9-6-27)45-23-20-39-18-21-44-22-19-39)32-11-12-33-31-10-7-28-24-30(46-47(41,42)43)14-16-36(28,2)34(31)15-17-37(32,33)3/h5-9,26,30-34H,4,10-25H2,1-3H3,(H,38,40)(H,41,42,43)/t26-,30+,31+,32-,33+,34+,36+,37-/m1/s1 | | Definition date: | 2017-05-02 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | [(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
|
 | | 9H4 | | Name: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C37 H50 N6 O9 S | | SMILES: | c6(OC2CC3C(=O)NC4(C(NS(C1(CC1)C)(=O)=O)=O)C(C=CCCCCCC(C(N3C2)=O)NC(=O)OC(C)(C)C)C4)nc5cc(OC)ccc5nc6C | | InChi: | InChI=1S/C37H50N6O9S/c1-22-31(39-28-18-24(50-6)14-15-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(5)16-17-36)20-23(37)12-10-8-7-9-11-13-27(32(45)43(29)21-25)40-34(47)52-35(2,3)4/h10,12,14-15,18,23,25,27,29H,7-9,11,13,16-17,19-21H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b12-10-/t23-,25-,27+,29+,37-/m1/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | 9H7 | | Name: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C38 H46 N6 O8 S2 | | SMILES: | c3(c1cccs1)c(nc2ccccc2n3)OC4CN5C(C4)C(NC6(C(C=CCCCCCC(C5=O)NC(=O)OC(C)(C)C)C6)C(NS(C7CC7)(=O)=O)=O)=O | | InChi: | InChI=1S/C38H46N6O8S2/c1-37(2,3)52-36(48)41-28-15-8-6-4-5-7-12-23-21-38(23,35(47)43-54(49,50)25-17-18-25)42-32(45)29-20-24(22-44(29)34(28)46)51-33-31(30-16-11-19-53-30)39-26-13-9-10-14-27(26)40-33/h7,9-14,16,19,23-25,28-29H,4-6,8,15,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b12-7-/t23-,24-,28+,29+,38-/m1/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | 6OV | | Name: | 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide | | Formula: | C22 H33 N5 O2 | | SMILES: | C3CCCC(CC(C(N1CCCC1C(NCc2ccc(cc2)C(N)=[N@H])=O)=O)N)C3 | | InChi: | InChI=1S/C22H33N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h8-11,15,18-19H,1-7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1 | | Definition date: | 2016-05-17 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide |
|
 | | 8ZT | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide | | Formula: | C25 H28 Cl N5 O3 S | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)nc2 | | InChi: | InChI=1S/C25H28ClN5O3S/c1-17-3-2-4-21(26)23(17)29-24(32)22-16-27-25(35-22)28-18-13-19(30-5-9-33-10-6-30)15-20(14-18)31-7-11-34-12-8-31/h2-4,13-16H,5-12H2,1H3,(H,27,28)(H,29,32) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide |
|
 | | 8ZW | | Name: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide | | Formula: | C22 H23 Cl N4 O4 S2 | | SMILES: | Cc1cccc(Cl)c1NC(=O)c2sc(Nc3cc(cc(c3)[S](C)(=O)=O)N4CCOCC4)nc2 | | InChi: | InChI=1S/C22H23ClN4O4S2/c1-14-4-3-5-18(23)20(14)26-21(28)19-13-24-22(32-19)25-15-10-16(27-6-8-31-9-7-27)12-17(11-15)33(2,29)30/h3-5,10-13H,6-9H2,1-2H3,(H,24,25)(H,26,28) | | Definition date: | 2017-03-31 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide |
|
 | | 8GV | | Name: | 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one | | Formula: | C24 H28 N6 O3 | | SMILES: | n1cn(c(n1)c2cccc(n2)N5Cc3c(cc(cc3)OCC4CN(C)CCO4)C5=O)C(C)C | | InChi: | InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1 | | Definition date: | 2017-02-05 | | Last modified: | 2017-06-02 | | Release date: | 2017-06-07 | | Identifier: | 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one |
|
