General Property |
Molceule ID (DB) | EGIN0004643 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 10c |
IUPAC Name | N-{[5-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)-1,2-oxazol-3-yl]methyl}prop-2-enamide |
Formula | C23H19ClN6O3 |
Mass | 462.888 |
Exact Mass | 462.1207162 |
Composition | C (59.68%), H (4.14%), Cl (7.66%), N (18.16%), O (10.37%) |
Atom Count | 52 |
PI | 9.17 |
Smiles | c1(c(cncn1)c1onc(CNC(=O)C=C)c1)Nc1ccc(c(c1)Cl)OCc1ccccn1 |
InChI | 1S/C23H19ClN6O3/c1-2-22(31)27-11-17-10-21(33-30-17)18-12-25-14-28-23(18)29-15-6-7-20(19(24)9-15)32-1
3-16-5-3-4-8-26-16/h2-10,12,14H,1,11,13H2,(H,27,31)(H,25,28,29) |
InChIKey | IONMHWXODSQZPT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004643.png) | Structure Backbone | ![](./frame/f_EGIN0004643.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 | 22372864 |
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 |
57342208
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Drug Bank Link | - |
ChemSpider Link | 28521123 |
ChEMBL Link | - |