General Property |
Molceule ID (DB) | EGIN0000750 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 47 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine |
Formula | C14H10BrClN4 |
Mass | 349.613 |
Exact Mass | 347.9777367 |
Composition | C (48.1%), H (2.88%), Br (22.85%), Cl (10.14%), N (16.03%) |
Atom Count | 30 |
PI | 10.17 |
Smiles | c12c(cc(c(c1)N)Cl)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20) |
InChIKey | DXPXPVHLPOANFF-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 | 8568816 |
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 |
5328213
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Drug Bank Link | - |
ChemSpider Link | 4485378 |
ChEMBL Link | CHEMBL63469 |