General Property |
Molceule ID (DB) | EGIN0001526 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7a compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[3-(morpholin-4-yl)prop-1-yn-1-yl]quinazolin-4-amine |
Formula | C21H18ClFN4O |
Mass | 396.845 |
Exact Mass | 396.1153171 |
Composition | C (63.56%), H (4.57%), Cl (8.93%), F (4.79%), N (14.12%), O (4.03%) |
Atom Count | 46 |
PI | 10.77 |
Smiles | c12c(ccc(c1)C#CCN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C21H18ClFN4O/c22-18-13-16(4-5-19(18)23)26-21-17-12-15(3-6-20(17)24-14-25-21)2-1-7-27-8-10-28-11-9
-27/h3-6,12-14H,7-11H2,(H,24,25,26) |
InChIKey | UMHMHOVNVKCQES-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 | 17889528 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
44442147
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Drug Bank Link | - |
ChemSpider Link | 23306725 |
ChEMBL Link | CHEMBL251498 |