General Property |
Molceule ID (DB) | EGIN0000192 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 14d compound |
IUPAC Name | N'-[(1E)-(4-chlorophenyl)methylidene]-2-[(4-{N'-[(1E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide |
Formula | C28H21Cl2N5O2 |
Mass | 530.405 |
Exact Mass | 529.1072304 |
Composition | C (63.4%), H (3.99%), Cl (13.37%), N (13.2%), O (6.03%) |
Atom Count | 58 |
PI | 6.2 |
Smiles | c1c(c(ccc1)C(=O)N/N=C/c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)Cl |
InChI | 1S/C28H21Cl2N5O2/c29-22-11-5-19(6-12-22)17-31-34-27(36)21-9-15-24(16-10-21)33-26-4-2-1-3-25(26)28(37
)35-32-18-20-7-13-23(30)14-8-20/h1-18,33H,(H,34,36)(H,35,37)/b31-17+,32-18+ |
InChIKey | YQZRIJZMLXVYJI-LTTYKRRRSA-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 | 26349553 |
ChEMBL Link | CHEMBL1242434 |