Bioactive Compound Details
| BioID | bio200282 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1946583 |
| Molecular Formula | C31H39NO4S |
| Molecular Weight | 521.72 |
| Molecular Weight (Monoisotopic) | 521.26 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Phenoxy-Phenylfarnesylcysteine |
| Smiles | CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O |
| Inchi | InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1 |
| Inchi Key | DAUMTLVRTBXRDU-NGKXTOPJSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.37 |
| Records Key | ['1a, POP-FC', '217'] |
| Records Name | ['2-phenoxy-phenylfarnesylcysteine', '(R)-2-(2-phenoxybenzamido)-3-(3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
