General Property |
Molceule ID (DB) | EGIN0000992 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | N-(2-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Formula | C14H13ClN4 |
Mass | 272.733 |
Exact Mass | 272.0828741 |
Composition | C (61.65%), H (4.8%), Cl (13%), N (20.54%) |
Atom Count | 32 |
PI | 9.76 |
Smiles | n1cnc2c(c1Nc1c(cccc1)Cl)c(c([nH]2)C)C |
InChI | 1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H2,16,17,18,19) |
InChIKey | FMTSNECBYBECGH-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 |
13492275
|
Drug Bank Link | - |
ChemSpider Link | 10534086 |
ChEMBL Link | CHEMBL73625 |