General Property |
Molceule ID (DB) | EGIN0000492 |
Inhibitor Class | Thiourea |
Molecule Name in Refrence Article | 7b compound |
IUPAC Name | 3-[(3-chloro-2-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-phenylthiourea |
Formula | C21H19ClN2O2S |
Mass | 398.906 |
Exact Mass | 398.0855763 |
Composition | C (63.23%), H (4.8%), Cl (8.89%), N (7.02%), O (8.02%), S (8.04%) |
Atom Count | 46 |
PI | 2.33 |
Smiles | c1(cccc(c1O)Cl)CN(C(=S)Nc1ccccc1)Cc1ccc(cc1)O |
InChI | 1S/C21H19ClN2O2S/c22-19-8-4-5-16(20(19)26)14-24(13-15-9-11-18(25)12-10-15)21(27)23-17-6-2-1-3-7-17/h
1-12,25-26H,13-14H2,(H,23,27) |
InChIKey | UWNCZMKPXVIIEH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000492.png) | Structure Backbone | ![](./frame/f_EGIN0000492.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 | 19914837 |
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 | 24643399 |
ChEMBL Link | CHEMBL592466 |