General Property |
Molceule ID (DB) | EGIN0000714 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | RB10 |
IUPAC Name | 4-N-(3-bromophenyl)quinazoline-4,6-diamine |
Formula | C14H11BrN4 |
Mass | 315.168 |
Exact Mass | 314.016709 |
Composition | C (53.35%), H (3.52%), Br (25.35%), N (17.78%) |
Atom Count | 30 |
PI | 10.54 |
Smiles | c1cc(cc(c1)Nc1ncnc2c1cc(cc2)N)Br |
InChI | 1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19) |
InChIKey | IZQHULBHKPGOAP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000714.png) | Structure Backbone | ![](./frame/f_EGIN0000714.png) |
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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 | 21138763 | 22309911 | 21763148 | 22280453 | 7658435 | 8568816 | 13678409 | 15686928 | 16759097 | 20151670 | |
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 |
5328042
|
Drug Bank Link | - |
ChemSpider Link | 4485209 |
ChEMBL Link | CHEMBL52765 |