General Property |
Molceule ID (DB) | EGIN0001314 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carboximidoyl]pyrimidine-4,6-diamine |
Formula | C25H27FN8O |
Mass | 474.5333 |
Exact Mass | 474.2291857 |
Composition | C (63.28%), H (5.73%), F (4%), N (23.61%), O (3.37%) |
Atom Count | 62 |
PI | 9.94 |
Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCC[C@@H]1COC)Cc1cc(ccc1)F |
InChI | 1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(2
3)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m1
/s1 |
InChIKey | ITVLSWHERKANSP-RWINEGRVSA-N |
2D Structure | ![](./image/EGIN0001314.png) | Structure Backbone | ![](./frame/f_EGIN0001314.png) |
|
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 |
24897279
|
Drug Bank Link | - |
ChemSpider Link | 24717181 |
ChEMBL Link | CHEMBL515664 |