Ligand 4 [511905]
Ligand 4
| SMILES | CCCc1ccccc1OC[C@@H](O)CNCCCc1cn(CCCCc2ccc(OC[C@@H](O)CNC(C)C)cc2)nn1 |
| InChIKey | YQSRDTSIHACZCZ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 22 |
| Log P | 3.953 |
| Molecular weight (Da) | 581.4 |
| Stereochemistry info | full |
Database connections
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| Structure pdb | 8W1V |
No bioactivity data available.
Ligand 4
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
Database connections
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| Structure pdb | 8W1V |