General Property |
Molceule ID (DB) | EGIN0001847 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12b compound |
IUPAC Name | N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
Formula | C25H25ClN6O2 |
Mass | 476.958 |
Exact Mass | 476.1727518 |
Composition | C (62.95%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%) |
Atom Count | 59 |
PI | 12.02 |
Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2nccnc2)cc1)Cl |
InChI | 1S/C25H25ClN6O2/c1-32-11-7-19(8-12-32)34-23-4-2-3-21-24(23)25(30-16-29-21)31-17-5-6-22(20(26)13-17)3
3-15-18-14-27-9-10-28-18/h2-6,9-10,13-14,16,19H,7-8,11-12,15H2,1H3,(H,29,30,31) |
InChIKey | HHHOBSDBLSOFLQ-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 | 16055332 |
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 |
10162630
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Drug Bank Link | - |
ChemSpider Link | 8338137 |
ChEMBL Link | CHEMBL436511 |