General Property |
Molceule ID (DB) | EGIN0002791 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | AG370 |
IUPAC Name | (3Z)-2-amino-3-(1H-indol-5-ylmethylidene)prop-1-ene-1,1,3-tricarbonitrile |
Formula | C15H9N5 |
Mass | 259.2655 |
Exact Mass | 259.0857953 |
Composition | C (69.49%), H (3.5%), N (27.01%) |
Atom Count | 29 |
PI | 5.87 |
Smiles | C(=Cc1cc2c([nH]cc2)cc1)(/C(=C(C#N)C#N)N)C#N |
InChI | 1S/C15H9N5/c16-7-12(15(19)13(8-17)9-18)6-10-1-2-14-11(5-10)3-4-20-14/h1-6,20H,19H2/b12-6+ |
InChIKey | CMMDWEJTQUTCKG-WUXMJOGZSA-N |
2D Structure | | Structure Backbone | |
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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 | 8960549 | 8667360 | 1676428 | |
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 | 20120313 |
ChEMBL Link | CHEMBL59150 |