General Property |
Molceule ID (DB) | EGIN0004684 |
Inhibitor Class | Anilino-pyrimidine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(1E)-3-(4-{[(propan-2-yl)amino]methyl}phenyl)prop-1-en-1-yl]pyrimidin-4-amine |
Formula | C31H32ClFN4O |
Mass | 531.063 |
Exact Mass | 530.2248676 |
Composition | C (70.11%), H (6.07%), Cl (6.68%), F (3.58%), N (10.55%), O (3.01%) |
Atom Count | 70 |
PI | 12.99 |
Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)/C=C/Cc1ccc(cc1)CNC(C)C |
InChI | 1S/C31H32ClFN4O/c1-21(2)34-18-24-12-10-23(11-13-24)6-5-9-28-22(3)35-20-36-31(28)37-27-14-15-30(29(32
)17-27)38-19-25-7-4-8-26(33)16-25/h4-5,7-17,20-21,34H,6,18-19H2,1-3H3,(H,35,36,37)/b9-5+ |
InChIKey | UHAFRMMDRSEHIX-WEVVVXLNSA-N |
2D Structure | ![](./image/EGIN0004684.png) | Structure Backbone | ![](./frame/f_EGIN0004684.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 | 22101132 |
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 | - |
ChEMBL Link | - |