General Property |
Molceule ID (DB) | EGIN0000193 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 14e compound |
IUPAC Name | N'-[(1E)-[4-(dimethylamino)phenyl]methylidene]-2-[(4-{N'-[(1E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide |
Formula | C32H33N7O2 |
Mass | 547.6501 |
Exact Mass | 547.2695733 |
Composition | C (70.18%), H (6.07%), N (17.9%), O (5.84%) |
Atom Count | 74 |
PI | 7.65 |
Smiles | c1c(c(ccc1)C(=O)N/N=C/c1ccc(cc1)N(C)C)Nc1ccc(cc1)C(=O)N/N=Cc1ccc(cc1)N(C)C |
InChI | 1S/C32H33N7O2/c1-38(2)27-17-9-23(10-18-27)21-33-36-31(40)25-13-15-26(16-14-25)35-30-8-6-5-7-29(30)32
(41)37-34-22-24-11-19-28(20-12-24)39(3)4/h5-22,35H,1-4H3,(H,36,40)(H,37,41)/b33-21+,34-22+ |
InChIKey | AXHBAEZOZWQOLK-WXGDAXOSSA-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 | 26353149 |
ChEMBL Link | CHEMBL1242529 |