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 | ![](./image/EGIN0004183.png) | Structure Backbone | ![](./frame/f_EGIN0004183.png) |
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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 | 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 |