General Property |
Molceule ID (DB) | EGIN0000790 |
Inhibitor Class | Anilino-pyrimidine |
Molecule Name in Refrence Article | 8o compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[2-(1H-pyrazol-3-yl)ethynyl]pyrimidin-4-amine |
Formula | C22H15ClFN5O |
Mass | 419.839 |
Exact Mass | 419.094916 |
Composition | C (62.94%), H (3.6%), Cl (8.44%), F (4.53%), N (16.68%), O (3.81%) |
Atom Count | 45 |
PI | 8.57 |
Smiles | c1c(cc(cc1)COc1c(cc(cc1)Nc1ncncc1C#Cc1n[nH]cc1)Cl)F |
InChI | 1S/C22H15ClFN5O/c23-20-11-19(6-7-21(20)30-13-15-2-1-3-17(24)10-15)28-22-16(12-25-14-26-22)4-5-18-8-9
-27-29-18/h1-3,6-12,14H,13H2,(H,27,29)(H,25,26,28) |
InChIKey | IJCQFRPHONNGRV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000790.png) | Structure Backbone | ![](./frame/f_EGIN0000790.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 | 16483772 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 23269689 |
ChEMBL Link | CHEMBL205284 |