General Property |
Molceule ID (DB) | EGIN0001738 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 Compound |
IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-{[1-(2-methoxyethyl)piperidin-4-yl]oxy}quinazolin-4-amine |
Formula | C23H26ClFN4O3 |
Mass | 460.929 |
Exact Mass | 460.1677466 |
Composition | C (59.93%), H (5.69%), Cl (7.69%), F (4.12%), N (12.16%), O (10.41%) |
Atom Count | 58 |
PI | 10.91 |
Smiles | c12c(cc(c(c1)OC1CCN(CC1)CCOC)OC)ncnc2Nc1cccc(c1F)Cl |
InChI | 1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-
4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28) |
InChIKey | VAGCDXKHNHUMSZ-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 | 16806916 |
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 |
9981727
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Drug Bank Link | - |
ChemSpider Link | 8157317 |
ChEMBL Link | CHEMBL214857 |