General Property |
Molceule ID (DB) | EGIN0000911 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-2-enamide |
Formula | C23H25BrN6O2 |
Mass | 497.388 |
Exact Mass | 496.1222367 |
Composition | C (55.54%), H (5.07%), Br (16.06%), N (16.9%), O (6.43%) |
Atom Count | 57 |
PI | 10.81 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)N(C(=O)C=C)CCCN1CCOCC1 |
InChI | 1S/C23H25BrN6O2/c1-2-22(31)30(8-4-7-29-9-11-32-12-10-29)21-14-19-20(15-25-21)26-16-27-23(19)28-18-6-
3-5-17(24)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,26,27,28) |
InChIKey | OCBRGIXVRJXGMM-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 11462982 |
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 |
5329083
|
Drug Bank Link | - |
ChemSpider Link | 4486245 |
ChEMBL Link | CHEMBL137082 |