General Property |
Molceule ID (DB) | EGIN0000586 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-(propan-2-yloxy)quinazolin-4-amine |
Formula | C18H17ClFN3O2 |
Mass | 361.798 |
Exact Mass | 361.0993327 |
Composition | C (59.76%), H (4.74%), Cl (9.8%), F (5.25%), N (11.61%), O (8.84%) |
Atom Count | 42 |
PI | 10.05 |
Smiles | c12c(cc(cc1OC(C)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C18H17ClFN3O2/c1-10(2)25-16-8-12(24-3)7-15-17(16)18(22-9-21-15)23-11-4-5-14(20)13(19)6-11/h4-10H,
1-3H3,(H,21,22,23) |
InChIKey | HCOMHAHJQWPWMM-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 16380259 |
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 | 23268236 |
ChEMBL Link | CHEMBL377277 |