compound 1 [PMID: 33547286] [2107]
compound 1 [PMID: 33547286]
| SMILES |
COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(CCNC(=O)c2ccccc2-n2nccn2)c1 |
| InChIKey |
AMTAVIZAVFJXIJ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
8 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
11 |
| Log P |
4.418 |
| Molecular weight (Da) |
624.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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Activity |
Source |
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Gene |
Species |
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Type |
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Avg |
Max |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Class |
Type |
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Avg |
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Database |
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compound 1 [PMID: 33547286]
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.