General Property |
Molceule ID (DB) | EGIN0003753 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 27 compound |
IUPAC Name | 2-(benzylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one |
Formula | C21H16Cl2N4O |
Mass | 411.284 |
Exact Mass | 410.0701166 |
Composition | C (61.33%), H (3.92%), Cl (17.24%), N (13.62%), O (3.89%) |
Atom Count | 44 |
PI | 8.59 |
Smiles | n1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)NCc1ccccc1)C |
InChI | 1S/C21H16Cl2N4O/c1-27-19-14(10-15(20(27)28)18-16(22)8-5-9-17(18)23)12-25-21(26-19)24-11-13-6-3-2-4-7
-13/h2-10,12H,11H2,1H3,(H,24,25,26) |
InChIKey | GCVONYYXPDJZOE-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 | 9703473 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | c-Src | FGFr | PDGFr | ALL |
Pub Chem Link |
5327874
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Drug Bank Link | - |
ChemSpider Link | 4485044 |
ChEMBL Link | CHEMBL113356 |