General Property |
Molceule ID (DB) | EGIN0000987 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 5,6-dimethyl-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C15H16N4 |
Mass | 252.3143 |
Exact Mass | 252.1374965 |
Composition | C (71.4%), H (6.39%), N (22.21%) |
Atom Count | 35 |
PI | 10.47 |
Smiles | n1cnc2c(c1Nc1ccc(cc1)C)c(c([nH]2)C)C |
InChI | 1S/C15H16N4/c1-9-4-6-12(7-5-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19) |
InChIKey | ULUQCXYPIVGYDV-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 | 8691423 |
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 |
13492270
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Drug Bank Link | - |
ChemSpider Link | 10534080 |
ChEMBL Link | CHEMBL307599 |