General Property |
Molceule ID (DB) | EGIN0001310 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-(piperidin-1-yl)carboximidoyl]pyrimidine-4,6-diamine |
Formula | C24H25FN8 |
Mass | 444.5073 |
Exact Mass | 444.218621 |
Composition | C (64.85%), H (5.67%), F (4.27%), N (25.21%) |
Atom Count | 58 |
PI | 9.94 |
Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCCCC1)Cc1cc(ccc1)F |
InChI | 1S/C24H25FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-2
9-32-9-2-1-3-10-32/h4-8,11-14,16H,1-3,9-10,15H2,(H3,26,27,28,31)/b29-14+ |
InChIKey | RCUSFXIASRCUQJ-IPPBACCNSA-N |
2D Structure | ![](./image/EGIN0001310.png) | Structure Backbone | ![](./frame/f_EGIN0001310.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 | 18653333 |
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 |
24897276
|
Drug Bank Link | - |
ChemSpider Link | 24720373 |
ChEMBL Link | CHEMBL524457 |