compound 1754-31 [PMID: 23788657] [2061]
compound 1754-31 [PMID: 23788657]
| SMILES |
CC(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O |
| InChIKey |
RWNPDBWKKCTTOI-WIQNKZILSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
12 |
| Log P |
4.766 |
| Molecular weight (Da) |
721.4 |
| Stereochemistry info |
full |
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 1754-31 [PMID: 23788657]
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.