General Property |
Molceule ID (DB) | EGIN0004605 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 19g |
IUPAC Name | N-{[2-(4-amino-6-{[3-chloro-4-(2,5-dichlorophenoxy)phenyl]amino}pyrimidin-5-yl)-1,3-oxazol-4-yl]methyl}prop-2-enamide |
Formula | C23H17Cl3N6O3 |
Mass | 531.778 |
Exact Mass | 530.0427716 |
Composition | C (51.95%), H (3.22%), Cl (20%), N (15.8%), O (9.03%) |
Atom Count | 52 |
PI | 9.62 |
Smiles | c1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1)Cl)Oc1c(ccc(c1)Cl)Cl |
InChI | 1S/C23H17Cl3N6O3/c1-2-19(33)28-9-14-10-34-23(32-14)20-21(27)29-11-30-22(20)31-13-4-6-17(16(26)8-13)3
5-18-7-12(24)3-5-15(18)25/h2-8,10-11H,1,9H2,(H,28,33)(H3,27,29,30,31) |
InChIKey | PAPGEYPTRKRHEH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004605.png) | Structure Backbone | ![](./frame/f_EGIN0004605.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 |
53357506
|
Drug Bank Link | - |
ChemSpider Link | 28508222 |
ChEMBL Link | - |