Bioactive Compound Details
| BioID | bio197235 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL443420 |
| Molecular Formula | C38H47F3N4O4S |
| Molecular Weight | 712.88 |
| Molecular Weight (Monoisotopic) | 563.3744 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-N-Methylmanzamine A Trifluoromethanesulfonate |
| Smiles | C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CCC1[C@]1(C[C@@H]4/C=C\CCCCN4[C@H]12)C3.O=S(=O)([O-])C(F)(F)F |
| Inchi | InChI=1S/C37H46N4O.CHF3O3S/c1-39-22-17-29-28-15-9-10-16-32(28)38-33(29)34(39)30-25-37(42)19-11-5-2-3-6-12-20-40-23-18-31(30)36(26-40)24-27-14-8-4-7-13-21-41(27)35(36)37;2-1(3,4)8(5,6)7/h2,5,8-10,14-17,22,25,27,31,35,42H,3-4,6-7,11-13,18-21,23-24,26H2,1H3;(H,5,6,7)/b5-2-,14-8-;/t27-,31?,35+,36-,37-;/m0./s1 |
| Inchi Key | JKGIEXAJEDKIJT-GTWBRYFRSA-N |
| Molecular Species | BASE |
| Targets | 11.0 |
| Bioactivities | 19.0 |
| Np Likeness Score | 2.14 |
| Records Key | ['2'] |
| Records Name | ['2-N-Methylmanzamine A trifluoromethanesulfonate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
