compound 4 [PMID: 22984835] [2294]
compound 4 [PMID: 22984835]
| SMILES |
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)n(-c3ccccc3)n2)CC1 |
| InChIKey |
HPSHQEAEJMOGDO-NRFANRHFSA-N |
Chemical Properties
| Hydrogen bond acceptors |
10 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
12 |
| Log P |
2.001 |
| Molecular weight (Da) |
599.3 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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compound 4 [PMID: 22984835]
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.