General Property |
Molceule ID (DB) | EGIN0000261 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2b compound |
IUPAC Name | N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine |
Formula | C16H12BrN5 |
Mass | 354.204 |
Exact Mass | 353.0276081 |
Composition | C (54.25%), H (3.41%), Br (22.56%), N (19.77%) |
Atom Count | 34 |
PI | 9.5 |
Smiles | c12c(cc3c(c1)cnn3C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,
19,21) |
InChIKey | BBWYQCNFQUTQED-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 |
5328280
|
Drug Bank Link | - |
ChemSpider Link | 4485445 |
ChEMBL Link | CHEMBL39320 |