compound 1a [PMID: 24900311] [2087]
compound 1a [PMID: 24900311]
| SMILES |
COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccc3ccccc3c2)c1 |
| InChIKey |
IFQNPGNCFXITTG-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
4 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
4 |
| Log P |
3.324 |
| Molecular weight (Da) |
365.1 |
| 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: 24900311]
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.