| General Property |
| Molceule ID (DB) | EGIN0002232 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | 1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-[(4-nitrophenyl)carbonyl]thiourea |
| Formula | C21H14N4O4S2 |
| Mass | 450.49 |
| Exact Mass | 450.0456463 |
| Composition | C (55.99%), H (3.13%), N (12.44%), O (14.21%), S (14.24%) |
| Atom Count | 45 |
| PI | 3.59 |
| Smiles | c1c(ccc(c1)C(=O)NC(=S)Nc1cc(c(cc1)O)c1nc2c(s1)cccc2)[N+](=O)[O-] |
| InChI | 1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6
-12)25(28)29/h1-11,26H,(H2,22,24,27,30) |
| InChIKey | FRHDZWLQTMKUPC-UHFFFAOYSA-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 | 19211246 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora A | Aurora B | InsR | VEGFR2 | VEGFR3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 13017981 |
| ChEMBL Link | CHEMBL460746 |
