General Property |
Molceule ID (DB) | EGIN0003190 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3l compound |
IUPAC Name | N-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]-4-methylphenyl}-3-(dimethylamino)benzamide |
Formula | C27H28N4O3 |
Mass | 456.5362 |
Exact Mass | 456.2161408 |
Composition | C (71.03%), H (6.18%), N (12.27%), O (10.51%) |
Atom Count | 62 |
PI | 7.99 |
Smiles | c12cc(c(cc1ncnc2Cc1cc(ccc1C)NC(=O)c1cc(ccc1)N(C)C)OC)OC |
InChI | 1S/C27H28N4O3/c1-17-9-10-20(30-27(32)18-7-6-8-21(12-18)31(2)3)11-19(17)13-23-22-14-25(33-4)26(34-5)1
5-24(22)29-16-28-23/h6-12,14-16H,13H2,1-5H3,(H,30,32) |
InChIKey | AWGATBLTVYHKJD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003190.png) | Structure Backbone | ![](./frame/f_EGIN0003190.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 | CHEMBL364576 |