General Property |
Molceule ID (DB) | EGIN0002535 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 7a compound |
IUPAC Name | 1-methyl-N-(5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
Formula | C20H23N7O2 |
Mass | 393.4423 |
Exact Mass | 393.191323 |
Composition | C (61.05%), H (5.89%), N (24.92%), O (8.13%) |
Atom Count | 52 |
PI | 11.42 |
Smiles | n1cnc(c2n1ccc2COC[C@@H]1CNCCO1)Nc1cc2c(cc1)n(nc2)C |
InChI | 1S/C20H23N7O2/c1-26-18-3-2-16(8-15(18)9-23-26)25-20-19-14(4-6-27(19)24-13-22-20)11-28-12-17-10-21-5-
7-29-17/h2-4,6,8-9,13,17,21H,5,7,10-12H2,1H3,(H,22,24,25)/t17-/m0/s1 |
InChIKey | VPNBNXNQPSWMMV-KRWDZBQOSA-N |
2D Structure | ![](./image/EGIN0002535.png) | Structure Backbone | ![](./frame/f_EGIN0002535.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 | 21177105 |
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 |
53325588
|
Drug Bank Link | - |
ChemSpider Link | 26377643 |
ChEMBL Link | CHEMBL1645463 |