lithocholylcholine [4744]
lithocholylcholine
| SMILES |
CC(CCCC(O)C[N+](C)(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
| InChIKey |
KWEWGNPMETZMTR-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
2 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
7 |
| Log P |
5.880 |
| Molecular weight (Da) |
448.4 |
| Stereochemistry info |
unspecified |
Bioactivities
|
| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
|
|
|
|
|
|
|
|
|
|
|
| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
|
|
|
|
|
|
|
|
|
|
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.