General Property |
Molceule ID (DB) | EGIN0000754 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 51 compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-ethyl-6-nitroquinazoline-4,7-diamine |
Formula | C16H14BrN5O2 |
Mass | 388.219 |
Exact Mass | 387.0330874 |
Composition | C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%) |
Atom Count | 38 |
PI | 9.87 |
Smiles | c12c(cc(c(c1)N(=O)=O)NCC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C16H14BrN5O2/c1-2-18-14-8-13-12(7-15(14)22(23)24)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h3-9,18H,2H
2,1H3,(H,19,20,21) |
InChIKey | ZZVUKMBWGBBAMP-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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL93734 |