General Property |
Molceule ID (DB) | EGIN0001387 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 5k compound |
IUPAC Name | ethyl 5-(4-methylphenyl)-4-[(1-phenyl-1H-indazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
Formula | C29H24N6O2 |
Mass | 488.5399 |
Exact Mass | 488.196074 |
Composition | C (71.3%), H (4.95%), N (17.2%), O (6.55%) |
Atom Count | 61 |
PI | 7.71 |
Smiles | c1(c2n(ncn1)cc(c2c1ccc(cc1)C)C(=O)OCC)Nc1cc2c(cc1)n(nc2)c1ccccc1 |
InChI | 1S/C29H24N6O2/c1-3-37-29(36)24-17-34-27(26(24)20-11-9-19(2)10-12-20)28(30-18-32-34)33-22-13-14-25-21
(15-22)16-31-35(25)23-7-5-4-6-8-23/h4-18H,3H2,1-2H3,(H,30,32,33) |
InChIKey | OOPPQXCQYTWEHC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001387.png) | Structure Backbone | ![](./frame/f_EGIN0001387.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 | 16111887 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL197568 |