General Property |
Molceule ID (DB) | EGIN0004433 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 6h compound |
IUPAC Name | 6-N-[(2-bromophenyl)methyl]-4-N-(3-chlorophenyl)quinazoline-4,6-diamine |
Formula | C21H16BrClN4 |
Mass | 439.736 |
Exact Mass | 438.0246869 |
Composition | C (57.36%), H (3.67%), Br (18.17%), Cl (8.06%), N (12.74%) |
Atom Count | 43 |
PI | 10.48 |
Smiles | n1cnc(c2c1ccc(c2)NCc1c(cccc1)Br)Nc1cc(ccc1)Cl |
InChI | 1S/C21H16BrClN4/c22-19-7-2-1-4-14(19)12-24-16-8-9-20-18(11-16)21(26-13-25-20)27-17-6-3-5-15(23)10-17
/h1-11,13,24H,12H2,(H,25,26,27) |
InChIKey | QQCDQPNSLRTTDZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004433.png) | Structure Backbone | ![](./frame/f_EGIN0004433.png) |
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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 | 22112541 |
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 |
57395421
|
Drug Bank Link | - |
ChemSpider Link | 28480563 |
ChEMBL Link | CHEMBL1928892 |