General Property |
Molceule ID (DB) | EGIN0003181 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3a compound |
IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}benzamide |
Formula | C24H21N3O3 |
Mass | 399.4418 |
Exact Mass | 399.1582916 |
Composition | C (72.16%), H (5.3%), N (10.52%), O (12.02%) |
Atom Count | 51 |
PI | 7.49 |
Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1)NC(=O)c1ccccc1)OC)OC |
InChI | 1S/C24H21N3O3/c1-29-22-13-19-20(25-15-26-21(19)14-23(22)30-2)12-16-7-6-10-18(11-16)27-24(28)17-8-4-3
-5-9-17/h3-11,13-15H,12H2,1-2H3,(H,27,28) |
InChIKey | IVLYKKGDVYHWFW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003181.png) | Structure Backbone | ![](./frame/f_EGIN0003181.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 | 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 | CHEMBL186802 |