General Property |
Molceule ID (DB) | EGIN0001361 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 32 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
Formula | C25H25ClFN5O3 |
Mass | 497.949 |
Exact Mass | 497.1629956 |
Composition | C (60.3%), H (5.06%), Cl (7.12%), F (3.82%), N (14.06%), O (9.64%) |
Atom Count | 60 |
PI | 11.72 |
Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F |
InChI | 1S/C25H25ClFN5O3/c26-22-11-20(4-5-23(22)35-13-17-2-1-3-19(27)10-17)31-25-24-18(6-8-32(24)30-16-29-25
)14-33-15-21-12-28-7-9-34-21/h1-6,8,10-11,16,21,28H,7,9,12-15H2,(H,29,30,31)/t21-/m0/s1 |
InChIKey | AXXNPLIUJGQSAQ-NRFANRHFSA-N |
2D Structure | ![](./image/EGIN0001361.png) | Structure Backbone | ![](./frame/f_EGIN0001361.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 | 17270437 | 17606372 | |
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 |
44440837
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Drug Bank Link | - |
ChemSpider Link | 23305120 |
ChEMBL Link | CHEMBL246493 |