General Property |
Molceule ID (DB) | EGIN0000263 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2d compound |
IUPAC Name | N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-1H-pyrazolo[4,3-g]quinazolin-5-amine |
Formula | C19H19BrN6 |
Mass | 411.298 |
Exact Mass | 410.0854573 |
Composition | C (55.48%), H (4.66%), Br (19.43%), N (20.43%) |
Atom Count | 45 |
PI | 12.2 |
Smiles | c12c(cc3c(c1)cnn3CCN(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C19H19BrN6/c1-25(2)6-7-26-18-10-17-16(8-13(18)11-23-26)19(22-12-21-17)24-15-5-3-4-14(20)9-15/h3-5
,8-12H,6-7H2,1-2H3,(H,21,22,24) |
InChIKey | LBVQCWSCVVKPQR-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 |
5328282
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Drug Bank Link | - |
ChemSpider Link | 4485447 |
ChEMBL Link | CHEMBL287832 |