General Property |
Molceule ID (DB) | EGIN0000189 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 14a compound |
IUPAC Name | N'-[(1E)-phenylmethylidene]-2-[(4-{N'-[(1E)-phenylmethylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide |
Formula | C28H23N5O2 |
Mass | 461.5145 |
Exact Mass | 461.185175 |
Composition | C (72.87%), H (5.02%), N (15.17%), O (6.93%) |
Atom Count | 58 |
PI | 6.44 |
Smiles | c1c(c(ccc1)C(=O)N/N=C/c1ccccc1)Nc1ccc(cc1)C(=O)N/N=C/c1ccccc1 |
InChI | 1S/C28H23N5O2/c34-27(32-29-19-21-9-3-1-4-10-21)23-15-17-24(18-16-23)31-26-14-8-7-13-25(26)28(35)33-3
0-20-22-11-5-2-6-12-22/h1-20,31H,(H,32,34)(H,33,35)/b29-19+,30-20+ |
InChIKey | OPUCHNHJTWLIRH-CZYCKNNWSA-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 | 20580136 |
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 | 26352229 |
ChEMBL Link | CHEMBL1242341 |