| General Property |
| Molceule ID (DB) | EGIN0005080 |
| Inhibitor Class | Curcumin |
| Molecule Name in Refrence Article | I9 |
| IUPAC Name | (2E,6E)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(4â€fluorophenyl)methylidene]cyclohexanâ€1â€one |
| Formula | C22H21ClO3 |
| Mass | 368.853 |
| Exact Mass | 368.117922245 |
| Composition | C (71.64%), H (5.74%), Cl (9.61%), O (13.01%) |
| Atom Count | 47 |
| PI | - |
| Smiles | [H]C(C1=C([H])C([H])=C(Cl)C([H])=C1[H])=C1/C(=O)/C(=C([H])C2=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C([H])([H])C1([H])[H] |
| InChI | 1S/C22H21ClO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,
3-5H2,1-2H3/b17-10+,18-11+ |
| InChIKey | YTJPZUZXESULTP-ODPUSEOTSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 23245570 |
| 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 |
71508647
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
