compound 8b [PMID: 22408719] [2360]
compound 8b [PMID: 22408719]
| SMILES |
COc1ccc(C2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 |
| InChIKey |
DWYMDWVNEIIEHC-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
8 |
| Log P |
6.418 |
| Molecular weight (Da) |
539.2 |
| 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 |
|
|
|
|
|
|
|
|
|
|
compound 8b [PMID: 22408719]
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.