Bioactive Compound Details
| BioID | bio4 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL5192515 |
| Molecular Formula | C25H26N4O7S |
| Molecular Weight | 526.57 |
| Molecular Weight (Monoisotopic) | 526.1522 |
| Type | None |
| Max Phase | -- |
| Target ID | Tar34 |
| Target Name | IBD2 |
| Synonyms | None |
| Smiles | CN(C(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1S(=O)(=O)c1ccc(N)cc1)c1ccccc1 |
| Inchi | InChI=1S/C25H26N4O7S/c1-27(18-5-3-2-4-6-18)25(34)20-15-28(24(33)16-13-21(30)23(32)22(31)14-16)11-12-29(20)37(35,36)19-9-7-17(26)8-10-19/h2-10,13-14,20,30-32H,11-12,15,26H2,1H3 |
| Inchi Key | JUCCCHVTIWQDLS-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -1.16 |
| Records Key | ['IB-2'] |
| Records Name | ['1-((4-aminophenyl)sulfonyl)-N-methyl-N-phenyl-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
