| General Property |
| Molceule ID (DB) | EGIN0004183 |
| Inhibitor Class | Benzo-furan |
| Molecule Name in Refrence Article | (S)-9c |
| IUPAC Name | 3-{4-[(S)-ethanesulfinyl]phenyl}-5-(5-methylfuran-2-yl)-1-benzofuran |
| Formula | C21H18O3S |
| Mass | 350.431 |
| Exact Mass | 350.0976651 |
| Composition | C (71.98%), H (5.18%), O (13.7%), S (9.15%) |
| Atom Count | 43 |
| PI | 8.67 |
| Smiles | c1cc(oc1C)c1ccc2c(c1)c(co2)c1ccc(cc1)[S@@+]([O-])CC |
| InChI | 1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3
H2,1-2H3/t25-/m0/s1 |
| InChIKey | NCGGCRHITOMNJS-VWLOTQADSA-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 | 19775160 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK2 | CDK5 | CHK1 | CK1 delta | c-Kit | c-Met | FGFR3 | IKK beta | IR | JNK1 | Lck | MEKK1 | p38R | PDGFR alpha | PDGFR beta | PKC theta | Src | TIE2 | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24635825 |
| ChEMBL Link | CHEMBL574613 |
