Bioactive Compound Details
| BioID | bio35888 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL5174633 |
| Molecular Formula | C30H39N5O9S |
| Molecular Weight | 645.74 |
| Molecular Weight (Monoisotopic) | 645.2468 |
| Type | None |
| Max Phase | -- |
| Target ID | Tar38 |
| Target Name | IBD8 |
| Synonyms | None |
| Smiles | CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C3CN(C(=O)c4cc(O)c(O)c(O)c4)CCN3S(=O)(=O)c3ccc(N)cc3)C2)C1 |
| Inchi | InChI=1S/C30H39N5O9S/c1-29(2,3)44-28(41)34-11-9-30(18-34)8-10-33(17-30)27(40)22-16-32(26(39)19-14-23(36)25(38)24(37)15-19)12-13-35(22)45(42,43)21-6-4-20(31)5-7-21/h4-7,14-15,22,36-38H,8-13,16-18,31H2,1-3H3 |
| Inchi Key | ODUQXDUJJCLHRZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.87 |
| Records Key | ['IB-8'] |
| Records Name | ['Tert-butyl 7-(1-((4-aminophenyl)sulfonyl)-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carbonyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
