General Property |
Molceule ID (DB) | EGIN0003191 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3m compound |
IUPAC Name | N-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(dimethylamino)benzamide |
Formula | C26H25ClN4O3 |
Mass | 476.955 |
Exact Mass | 476.1615184 |
Composition | C (65.47%), H (5.28%), Cl (7.43%), N (11.75%), O (10.06%) |
Atom Count | 59 |
PI | 7.24 |
Smiles | c12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
InChI | 1S/C26H25ClN4O3/c1-31(2)18-7-5-6-17(12-18)26(32)30-23-11-16(8-9-20(23)27)10-21-19-13-24(33-3)25(34-4
)14-22(19)29-15-28-21/h5-9,11-15H,10H2,1-4H3,(H,30,32) |
InChIKey | UPHSTKWVUHQIJT-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 | 15454232 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | p38 alpha | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL184682 |