General Property |
Molceule ID (DB) | EGIN0003188 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3j compound |
IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(dimethylamino)benzamide |
Formula | C26H26N4O3 |
Mass | 442.5096 |
Exact Mass | 442.2004907 |
Composition | C (70.57%), H (5.92%), N (12.66%), O (10.85%) |
Atom Count | 59 |
PI | 7.91 |
Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
InChI | 1S/C26H26N4O3/c1-30(2)20-10-6-8-18(13-20)26(31)29-19-9-5-7-17(11-19)12-22-21-14-24(32-3)25(33-4)15-2
3(21)28-16-27-22/h5-11,13-16H,12H2,1-4H3,(H,29,31) |
InChIKey | UAFGSWDDPWJHGW-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 | CHEMBL365830 |