compound 65 [PMID: 36126387] [2326]
compound 65 [PMID: 36126387]
| SMILES |
COc1cc2c(C(=O)N3CCC(F)CC3)cn(-c3ccc4scc(C)c4c3)c(=O)c2cc1OC |
| InChIKey |
HELXFZDNFAKTSS-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
4 |
| Log P |
5.105 |
| Molecular weight (Da) |
480.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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compound 65 [PMID: 36126387]
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.