General Property |
Molceule ID (DB) | EGIN0001193 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[(1E)-4-(morpholin-4-yl)but-1-en-1-yl]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
Formula | C25H25ClFN5O2 |
Mass | 481.95 |
Exact Mass | 481.168081 |
Composition | C (62.3%), H (5.23%), Cl (7.36%), F (3.94%), N (14.53%), O (6.64%) |
Atom Count | 59 |
PI | 9.67 |
Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)/C=C/CCN1CCOCC1)NC(=O)C=C |
InChI | 1S/C25H25ClFN5O2/c1-2-23(33)30-25-18(5-3-4-8-32-9-11-34-12-10-32)15-22-24(31-25)21(28-16-29-22)14-17
-6-7-20(27)19(26)13-17/h2-3,5-7,13,15-16H,1,4,8-12,14H2,(H,30,31,33)/b5-3+ |
InChIKey | OHGZNBMOOVLHFR-HWKANZROSA-N |
2D Structure | ![](./image/EGIN0001193.png) | Structure Backbone | ![](./frame/f_EGIN0001193.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 | 10956451 |
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 |
44564527
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Drug Bank Link | - |
ChemSpider Link | 23335380 |
ChEMBL Link | CHEMBL490496 |