General Property |
Molceule ID (DB) | EGIN0001530 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6d compound |
IUPAC Name | 3-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}prop-2-yn-1-ol |
Formula | C19H17N3O3 |
Mass | 335.3566 |
Exact Mass | 335.1269914 |
Composition | C (68.05%), H (5.11%), N (12.53%), O (14.31%) |
Atom Count | 42 |
PI | 9.35 |
Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCO |
InChI | 1S/C19H17N3O3/c1-24-17-10-15-16(11-18(17)25-2)20-12-21-19(15)22-14-7-3-5-13(9-14)6-4-8-23/h3,5,7,9-1
2,23H,8H2,1-2H3,(H,20,21,22) |
InChIKey | WIBRRSMFZMVFSE-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 |
15520888
|
Drug Bank Link | - |
ChemSpider Link | 13078128 |
ChEMBL Link | CHEMBL399736 |