General Property |
Molceule ID (DB) | EGIN0002448 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 21 Compound |
IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-[(prop-2-yn-1-yl)amino]but-2-enamide |
Formula | C25H21ClFN5O2 |
Mass | 477.918 |
Exact Mass | 477.1367809 |
Composition | C (62.83%), H (4.43%), Cl (7.42%), F (3.98%), N (14.65%), O (6.7%) |
Atom Count | 55 |
PI | 10.48 |
Smiles | C(/C=C/C(=O)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl)NCC#C |
InChI | 1S/C25H21ClFN5O2/c1-3-9-29-10-5-6-24(33)32-22-12-18-21(13-23(22)34-4-2)30-15-16(14-28)25(18)31-17-7-
8-20(27)19(26)11-17/h1,5-8,11-13,15,29H,4,9-10H2,2H3,(H,30,31)(H,32,33)/b6-5+ |
InChIKey | DBNKNZTWWHDYFH-AATRIKPKSA-N |
2D Structure | ![](./image/EGIN0002448.png) | Structure Backbone | ![](./frame/f_EGIN0002448.png) |
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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 | 20797871 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 26349640 |
ChEMBL Link | CHEMBL1243316 |