Bioactive Compound Details
| BioID | bio198769 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL84905 |
| Molecular Formula | C38H75NO3 |
| Molecular Weight | 594.02 |
| Molecular Weight (Monoisotopic) | 593.5747 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Heptanoic Acid 2-Pentadecanoylamino-Hexadecyl Ester |
| Smiles | CCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCC)COC(=O)CCCCCC |
| Inchi | InChI=1S/C38H75NO3/c1-4-7-10-13-15-17-19-21-23-25-27-29-32-36(35-42-38(41)34-31-12-9-6-3)39-37(40)33-30-28-26-24-22-20-18-16-14-11-8-5-2/h36H,4-35H2,1-3H3,(H,39,40) |
| Inchi Key | DVBJZHWWOCZHFL-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 15.0 |
| Np Likeness Score | 0.13 |
| Records Key | ['2s', '12b', '20'] |
| Records Name | ['Heptanoic acid 2-pentadecanoylamino-hexadecyl ester', 'Heptanoic acid 2-pentadecanoylamino-hexadecyl ester', 'Heptanoic acid 2-pentadecanoylamino-hexadecyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
