General Property |
Molceule ID (DB) | EGIN0001474 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 35 compound |
IUPAC Name | N-(5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(1R)-1-phenylethyl]-1H-indazol-5-amine |
Formula | C27H29N7O2 |
Mass | 483.5649 |
Exact Mass | 483.2382732 |
Composition | C (67.06%), H (6.04%), N (20.28%), O (6.62%) |
Atom Count | 65 |
PI | 11.42 |
Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2[C@@H](c1ccccc1)C |
InChI | 1S/C27H29N7O2/c1-19(20-5-3-2-4-6-20)34-25-8-7-23(13-22(25)14-30-34)32-27-26-21(9-11-33(26)31-18-29-2
7)16-35-17-24-15-28-10-12-36-24/h2-9,11,13-14,18-19,24,28H,10,12,15-17H2,1H3,(H,29,31,32)/t19-,24+/m
1/s1 |
InChIKey | CJHNARCORXPMOD-DVECYGJZSA-N |
2D Structure | ![](./image/EGIN0001474.png) | Structure Backbone | ![](./frame/f_EGIN0001474.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 |
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 |
44440841
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Drug Bank Link | - |
ChemSpider Link | 23305125 |
ChEMBL Link | CHEMBL394495 |