General Property |
Molceule ID (DB) | EGIN0004535 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 3a |
IUPAC Name | N-[3-({5-chloro-2-[(4-fluoro-2-methoxyphenyl)amino]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide |
Formula | C20H16ClFN4O3 |
Mass | 414.817 |
Exact Mass | 414.0894963 |
Composition | C (57.91%), H (3.89%), Cl (8.55%), F (4.58%), N (13.51%), O (11.57%) |
Atom Count | 45 |
PI | 6.85 |
Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)F)OC)Oc1cccc(c1)NC(=O)C=C |
InChI | 1S/C20H16ClFN4O3/c1-3-18(27)24-13-5-4-6-14(10-13)29-19-15(21)11-23-20(26-19)25-16-8-7-12(22)9-17(16)
28-2/h3-11H,1H2,2H3,(H,24,27)(H,23,25,26) |
InChIKey | IVRVQNYHBDCDMQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004535.png) | Structure Backbone | ![](./frame/f_EGIN0004535.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 |
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 |
53319302
|
Drug Bank Link | - |
ChemSpider Link | 26380286 |
ChEMBL Link | CHEMBL1643969 |