Bioactive Compound Details
| BioID | bio1823 |
|---|---|
| Name | NIPHATOXIN C |
| ChEMBL ID | CHEMBL251665 |
| Molecular Formula | C36H50N3+ |
| Molecular Weight | 524.82 |
| Molecular Weight (Monoisotopic) | 524.3999 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Niphatoxin C |
| Smiles | C(=C\CCCC[n+]1cccc(C/C=C\CCCCCCc2cccnc2)c1)\CCCCCCc1cccnc1 |
| Inchi | InChI=1S/C36H50N3/c1(3-6-10-14-21-34-24-18-27-37-31-34)2-4-9-13-17-29-39-30-20-26-36(33-39)23-16-12-8-5-7-11-15-22-35-25-19-28-38-32-35/h2,4,12,16,18-20,24-28,30-33H,1,3,5-11,13-15,17,21-23,29H2/q+1/b4-2-,16-12- |
| Inchi Key | QMKWJZIROZRKOP-JXSNUWOOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.4 |
| Records Key | ['1, Niphatoxin C'] |
| Records Name | ['1-[(5Z)-12-pyridin-3-yldodec-5-en-1-yl]-3-[(2Z)-9-pyridin-3-ylnon-2-en-1-yl]pyridinium'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
