Bioactive Compound Details
| BioID | bio3340 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL5203926 |
| Molecular Formula | C31H30N4O7S |
| Molecular Weight | 602.67 |
| Molecular Weight (Monoisotopic) | 602.1835 |
| Type | None |
| Max Phase | -- |
| Target ID | Tar22 |
| Target Name | IBD7 |
| Synonyms | None |
| Smiles | Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)NCc2ccc(-c3ccccc3)cc2)cc1 |
| Inchi | InChI=1S/C31H30N4O7S/c32-24-10-12-25(13-11-24)43(41,42)35-15-14-34(31(40)23-16-27(36)29(38)28(37)17-23)19-26(35)30(39)33-18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-13,16-17,26,36-38H,14-15,18-19,32H2,(H,33,39) |
| Inchi Key | IHTDDBCUSUVYCP-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.98 |
| Records Key | ['IB-7'] |
| Records Name | [N-([1,1'-biphenyl]-4-ylmethyl)-1-((4-aminophenyl)sulfonyl)-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
