General Property |
Molceule ID (DB) | EGIN0000277 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-(3-bromophenyl)-6-({[2-(dimethylamino)ethyl](methyl)amino}methyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine |
Formula | C22H25BrN6 |
Mass | 453.378 |
Exact Mass | 452.1324075 |
Composition | C (58.28%), H (5.56%), Br (17.62%), N (18.54%) |
Atom Count | 54 |
PI | 12.18 |
Smiles | c12c(cc3c(c1)c(c[nH]3)CN(C)CCN(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C22H25BrN6/c1-28(2)7-8-29(3)13-15-12-24-20-11-21-19(10-18(15)20)22(26-14-25-21)27-17-6-4-5-16(23)
9-17/h4-6,9-12,14,24H,7-8,13H2,1-3H3,(H,25,26,27) |
InChIKey | ZGDBKHJMLZCBJH-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 | 9154973 |
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 |
5328295
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Drug Bank Link | - |
ChemSpider Link | 4485460 |
ChEMBL Link | CHEMBL39811 |