General Property |
Molceule ID (DB) | EGIN0000758 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 53 compound |
IUPAC Name | 4-[(3-bromophenyl)amino]quinazoline-6,7-diol |
Formula | C14H10BrN3O2 |
Mass | 332.152 |
Exact Mass | 330.9956392 |
Composition | C (50.62%), H (3.03%), Br (24.06%), N (12.65%), O (9.63%) |
Atom Count | 30 |
PI | 6.34 |
Smiles | c12c(cc(c(c1)O)O)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18) |
InChIKey | CZMCXMIIVHUIPE-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 | 7658435 | 8568816 | 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 |
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Drug Bank Link | - |
ChemSpider Link | 10762177 |
ChEMBL Link | CHEMBL93032 |