General Property |
Molceule ID (DB) | EGIN0004361 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 3h |
IUPAC Name | N-{3-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
Formula | C24H25ClN6O2 |
Mass | 464.947 |
Exact Mass | 464.1727518 |
Composition | C (62%), H (5.42%), Cl (7.63%), N (18.08%), O (6.88%) |
Atom Count | 58 |
PI | 10.92 |
Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
InChI | 1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-1
3-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29) |
InChIKey | APHGZZPEOCCYNO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004361.png) | Structure Backbone | ![](./frame/f_EGIN0004361.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 | 21208802 | 20033049 | |
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 |
44607360
|
Drug Bank Link | - |
ChemSpider Link | 24747349 |
ChEMBL Link | CHEMBL1643976 |