General Property |
Molceule ID (DB) | EGIN0004957 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 36b |
IUPAC Name | 2-chloro-N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H13Cl2N3O2 |
Mass | 350.199 |
Exact Mass | 349.0384821 |
Composition | C (54.87%), H (3.74%), Cl (20.25%), N (12%), O (9.14%) |
Atom Count | 36 |
PI | 8.78 |
Smiles | c12cc(c(cc1nc(nc2Nc1cccc(c1)Cl)Cl)OC)OC |
InChI | 1S/C16H13Cl2N3O2/c1-22-13-7-11-12(8-14(13)23-2)20-16(18)21-15(11)19-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(
H,19,20,21) |
InChIKey | URYKHFOATQIJDL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004957.png) | Structure Backbone | ![](./frame/f_EGIN0004957.png) |
|
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 | 8879541 |
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 |
5328834
|
Drug Bank Link | - |
ChemSpider Link | 4485996 |
ChEMBL Link | - |