Bioactive Compound Details
| BioID | bio17912 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL5184193 |
| Molecular Formula | C26H28N4O8S |
| Molecular Weight | 556.6 |
| Molecular Weight (Monoisotopic) | 556.1628 |
| Type | None |
| Max Phase | -- |
| Target ID | Tar29 |
| Target Name | IBD3 |
| Synonyms | None |
| Smiles | COc1ccc(CNC(=O)C2CN(C(=O)c3cc(O)c(O)c(O)c3)CCN2S(=O)(=O)c2ccc(N)cc2)cc1 |
| Inchi | InChI=1S/C26H28N4O8S/c1-38-19-6-2-16(3-7-19)14-28-25(34)21-15-29(26(35)17-12-22(31)24(33)23(32)13-17)10-11-30(21)39(36,37)20-8-4-18(27)5-9-20/h2-9,12-13,21,31-33H,10-11,14-15,27H2,1H3,(H,28,34) |
| Inchi Key | BSJHOBUXVOJFOB-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -1.03 |
| Records Key | ['IB-3'] |
| Records Name | ['1-((4-aminophenyl)sulfonyl)-N-(4-methoxybenzyl)-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
