General Property |
Molceule ID (DB) | EGIN0001548 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | N-(3-bromophenyl)-9-chloro-3-[2-(dimethylamino)ethyl]-3H-imidazo[4,5-g]quinazolin-8-amine |
Formula | C19H18BrClN6 |
Mass | 445.743 |
Exact Mass | 444.046485 |
Composition | C (51.2%), H (4.07%), Br (17.93%), Cl (7.95%), N (18.85%) |
Atom Count | 45 |
PI | 11.97 |
Smiles | c12c(cc3c(c1Cl)ncn3CCN(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C19H18BrClN6/c1-26(2)6-7-27-11-24-18-15(27)9-14-16(17(18)21)19(23-10-22-14)25-13-5-3-4-12(20)8-13
/h3-5,8-11H,6-7H2,1-2H3,(H,22,23,25) |
InChIKey | ZPJWMBTXUODZPM-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 | 8632415 |
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 |
5328237
|
Drug Bank Link | - |
ChemSpider Link | 4485402 |
ChEMBL Link | CHEMBL427298 |