General Property |
Molceule ID (DB) | EGIN0004772 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 14 |
IUPAC Name | 4-[(1E)-{2-[(3R)-3-benzylbut-1-en-2-yl]hydrazin-1-ylidene}methyl]-5-phenyl-1H-pyrazole |
Formula | C21H22N4 |
Mass | 330.4262 |
Exact Mass | 330.1844467 |
Composition | C (76.33%), H (6.71%), N (16.96%) |
Atom Count | 47 |
PI | 8.06 |
Smiles | c1cccc(c1)c1c(cn[nH]1)/C=N/NC(=C)[C@@H](Cc1ccccc1)C |
InChI | 1S/C21H22N4/c1-16(13-18-9-5-3-6-10-18)17(2)24-22-14-20-15-23-25-21(20)19-11-7-4-8-12-19/h3-12,14-16,
24H,2,13H2,1H3,(H,23,25)/b22-14+/t16-/m1/s1 |
InChIKey | RCVYWSLFNFGKPE-CAUNFOBBSA-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 | 22595177 |
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 | 28509114 |
ChEMBL Link | - |