General Property |
Molceule ID (DB) | EGIN0000729 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 47 compound |
IUPAC Name | N-(3-bromophenyl)-7-nitroquinazolin-4-amine |
Formula | C14H9BrN4O2 |
Mass | 345.151 |
Exact Mass | 343.9908882 |
Composition | C (48.72%), H (2.63%), Br (23.15%), N (16.23%), O (9.27%) |
Atom Count | 30 |
PI | 8.31 |
Smiles | c12c(cc(cc1)N(=O)=O)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C14H9BrN4O2/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19(20)21)7-13(12)16-8-17-14/h1-8H,(H,16,17,18) |
InChIKey | RZBBKHCMKJSCKV-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 | |
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 |
5328044
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Drug Bank Link | - |
ChemSpider Link | 4485211 |
ChEMBL Link | CHEMBL94275 |