compound 42 [PMID: 22545772] [2262]
compound 42 [PMID: 22545772]
| SMILES |
CC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@@H](C)C2)no1 |
| InChIKey |
UNGZTVLHLKAKQE-HNNXBMFYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
10 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
6 |
| Log P |
2.544 |
| Molecular weight (Da) |
420.2 |
| Stereochemistry info |
full |
Bioactivities
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| Receptor |
Activity |
Source |
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Gene |
Species |
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Type |
Min |
Avg |
Max |
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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 42 [PMID: 22545772]
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.