Bioactive Compound Details
| BioID | bio45385 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL5199086 |
| Molecular Formula | C29H28N4O7S |
| Molecular Weight | 576.63 |
| Molecular Weight (Monoisotopic) | 576.1679 |
| Type | None |
| Max Phase | -- |
| Target ID | Tar27 |
| Target Name | IBD5 |
| Synonyms | None |
| Smiles | Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2C(=O)NCc2cccc3ccccc23)cc1 |
| Inchi | InChI=1S/C29H28N4O7S/c30-21-8-10-22(11-9-21)41(39,40)33-13-12-32(29(38)20-14-25(34)27(36)26(35)15-20)17-24(33)28(37)31-16-19-6-3-5-18-4-1-2-7-23(18)19/h1-11,14-15,24,34-36H,12-13,16-17,30H2,(H,31,37) |
| Inchi Key | VBJKRPZKOXGWHD-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -1.06 |
| Records Key | ['IB-5'] |
| Records Name | ['1-((4-aminophenyl)sulfonyl)-N-(naphthalen-1-ylmethyl)-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
