General Property |
Molceule ID (DB) | EGIN0000305 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 31 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}hept-2-ynamide |
Formula | C20H17ClFN5O |
Mass | 397.833 |
Exact Mass | 397.1105661 |
Composition | C (60.38%), H (4.31%), Cl (8.91%), F (4.78%), N (17.6%), O (4.02%) |
Atom Count | 45 |
PI | 7.99 |
Smiles | c12c(cnc(c1)NC(=O)C#CCCCC)ncnc2Nc1cc(c(cc1)F)Cl |
InChI | 1S/C20H17ClFN5O/c1-2-3-4-5-6-19(28)27-18-10-14-17(11-23-18)24-12-25-20(14)26-13-7-8-16(22)15(21)9-13
/h7-12H,2-4H2,1H3,(H,23,27,28)(H,24,25,26) |
InChIKey | PEOYVSCYYMEJBB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000305.png) | Structure Backbone | ![](./frame/f_EGIN0000305.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 | 16480284 |
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 |
11524106
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Drug Bank Link | - |
ChemSpider Link | 9698892 |
ChEMBL Link | CHEMBL202424 |