General Property |
Molceule ID (DB) | EGIN0000928 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | N-[(4-chlorophenyl)methyl]quinazolin-4-amine |
Formula | C15H12ClN3 |
Mass | 269.729 |
Exact Mass | 269.0719751 |
Composition | C (66.79%), H (4.48%), Cl (13.14%), N (15.58%) |
Atom Count | 31 |
PI | 11.7 |
Smiles | c12c(cccc1)ncnc2NCc1ccc(cc1)Cl |
InChI | 1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) |
InChIKey | BTRLSAYDVSPYCS-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 | 7658435 |
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 |
5328014
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Drug Bank Link | - |
ChemSpider Link | 4485181 |
ChEMBL Link | CHEMBL117554 |