General Property |
Molceule ID (DB) | EGIN0003192 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3n compound |
IUPAC Name | N-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(morpholin-4-yl)benzamide |
Formula | C28H27ClN4O4 |
Mass | 518.991 |
Exact Mass | 518.1720831 |
Composition | C (64.8%), H (5.24%), Cl (6.83%), N (10.8%), O (12.33%) |
Atom Count | 64 |
PI | 6.85 |
Smiles | c12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1cc(ccc1)N1CCOCC1)OC)OC |
InChI | 1S/C28H27ClN4O4/c1-35-26-15-21-23(30-17-31-24(21)16-27(26)36-2)12-18-6-7-22(29)25(13-18)32-28(34)19-
4-3-5-20(14-19)33-8-10-37-11-9-33/h3-7,13-17H,8-12H2,1-2H3,(H,32,34) |
InChIKey | SBGYBIPNPFVINT-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 | CHEMBL184052 |