compound 48 [PMID: 22364337] [2280]
compound 48 [PMID: 22364337]
| SMILES |
CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(F)c2)c(C#N)c1=O |
| InChIKey |
IPTWXMISVLTMAV-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
6 |
| Log P |
4.822 |
| Molecular weight (Da) |
377.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
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Type |
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Avg |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Class |
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Avg |
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Database |
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compound 48 [PMID: 22364337]
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.