compound 4 [PMID: 27074625]
compound 4 [PMID: 27074625]
| SMILES |
OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O] |
| InChIKey |
BNXVSBVQPRGKJS-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
9 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
16 |
| Molecular weight (Da) |
629.2 |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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compound 4 [PMID: 27074625]
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Sankey plot
Compound is not listed as a drug.