Bioactive Compound Details
| BioID | bio197085 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL309056 |
| Molecular Formula | C32H39N3O6 |
| Molecular Weight | 561.68 |
| Molecular Weight (Monoisotopic) | 561.2839 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | PS-154636-1|PS-154636-2 |
| Smiles | CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 |
| Inchi | InChI=1S/C32H39N3O6/c1-4-5-18-33-29(37)21-27(36)26(19-22-12-8-6-9-13-22)34-32(39)30(23-14-10-7-11-15-23)35-31(38)25-17-16-24(40-2)20-28(25)41-3/h6-17,20,26-27,30,36H,4-5,18-19,21H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26?,27?,30-/m0/s1 |
| Inchi Key | SXBWRHFAOQVOPG-VSBJFVJKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.28 |
| Records Key | ['PS-154636-2', 'PS-154636-1'] |
| Records Name | ['N-[(S)-(1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-phenyl-methyl]-2,4-dimethoxy-benzamide', 'N-[(S)-(1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-phenyl-methyl]-2,4-dimethoxy-benzamide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
