General Property |
Molceule ID (DB) | EGIN0001759 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | PD-0180970 |
IUPAC Name | 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one |
Formula | C21H15Cl2FN4O |
Mass | 429.274 |
Exact Mass | 428.0606947 |
Composition | C (58.76%), H (3.52%), Cl (16.52%), F (4.43%), N (13.05%), O (3.73%) |
Atom Count | 44 |
PI | 7.49 |
Smiles | c1c(c(=O)n(C)c2nc(Nc3cc(c(cc3)F)C)ncc12)c1c(cccc1Cl)Cl |
InChI | 1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-1
6(18)23/h3-10H,1-2H3,(H,25,26,27) |
InChIKey | SLCFEJAMCRLYRG-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 | 10974196 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 4470634 |
ChEMBL Link | CHEMBL574058 |