compound 7a [PMID: 33730669] [2350]
compound 7a [PMID: 33730669]
| SMILES |
O=C1CCCC2=C1C(c1ccc(O)cc1)n1nc(-c3ccccc3Cl)nc1N2 |
| InChIKey |
USSMQJUVPNGHNK-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
2 |
| Log P |
4.326 |
| Molecular weight (Da) |
392.1 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Type |
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Avg |
Max |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
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Avg |
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Database |
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compound 7a [PMID: 33730669]
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.