General Property |
Molceule ID (DB) | EGIN0001912 |
Inhibitor Class | Naphthyridine |
Molecule Name in Refrence Article | 27 compound |
IUPAC Name | 4-(cyclopentylamino)-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile |
Formula | C20H20N6 |
Mass | 344.413 |
Exact Mass | 344.1749447 |
Composition | C (69.75%), H (5.85%), N (24.4%) |
Atom Count | 46 |
PI | 12.32 |
Smiles | c1ncc(cc1)CNc1ncc2c(c1)c(c(cn2)C#N)NC1CCCC1 |
InChI | 1S/C20H20N6/c21-9-15-12-23-18-13-25-19(24-11-14-4-3-7-22-10-14)8-17(18)20(15)26-16-5-1-2-6-16/h3-4,7
-8,10,12-13,16H,1-2,5-6,11H2,(H,23,26)(H,24,25) |
InChIKey | GFQYKLFLRSWWLC-UHFFFAOYSA-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 | 17664070 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Tpl2 | |
Pub Chem Link |
44435407
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Drug Bank Link | - |
ChemSpider Link | 23298409 |
ChEMBL Link | CHEMBL238323 |