General Property |
Molceule ID (DB) | EGIN0003364 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 38 compound |
IUPAC Name | (2E)-N-{4-[(3-chloro-4-{[(phenylamino)methyl]amino}phenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
Formula | C30H30ClN7O2 |
Mass | 556.058 |
Exact Mass | 555.2149509 |
Composition | C (64.8%), H (5.44%), Cl (6.38%), N (17.63%), O (5.75%) |
Atom Count | 70 |
PI | 10.68 |
Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(NCNc2ccccc2)cc1)Cl |
InChI | 1S/C30H30ClN7O2/c1-38(2)13-7-10-29(39)37-27-15-23-26(16-28(27)40-3)33-18-20(17-32)30(23)36-22-11-12-
25(24(31)14-22)35-19-34-21-8-5-4-6-9-21/h4-12,14-16,18,34-35H,13,19H2,1-3H3,(H,33,36)(H,37,39)/b10-7
+ |
InChIKey | ZVJKJOPDVJJONM-JXMROGBWSA-N |
2D Structure | | Structure Backbone | |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 15715478 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 23244488 |
ChEMBL Link | CHEMBL178096 |