General Property |
Molceule ID (DB) | EGIN0004036 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 4b compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-chloroacetamide |
Formula | C16H12BrClN4O |
Mass | 391.65 |
Exact Mass | 389.9883014 |
Composition | C (49.07%), H (3.09%), Br (20.4%), Cl (9.05%), N (14.31%), O (4.09%) |
Atom Count | 35 |
PI | 8.61 |
Smiles | c1(c2c(ncn1)ccc(c2)NC(=O)CCl)Nc1cc(Br)ccc1 |
InChI | 1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(
H,21,23)(H,19,20,22) |
InChIKey | PCOWWMQRUYKPLC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004036.png) | Structure Backbone | ![](./frame/f_EGIN0004036.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 | 16078851 |
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 |
10023383
|
Drug Bank Link | - |
ChemSpider Link | 8198954 |
ChEMBL Link | CHEMBL193159 |