compound 1a [PMID: 27184081] [2089]
compound 1a [PMID: 27184081]
| SMILES |
CCOc1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1 |
| InChIKey |
FTAMKKMCMPITAD-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
5 |
| Log P |
3.987 |
| Molecular weight (Da) |
326.1 |
| 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 1a [PMID: 27184081]
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.