CHEMBL94692
CHEMBL94692
| SMILES | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccc(OC(=O)CC/C=C\C[C@@H]4CO[C@H](c5ccc(C#N)cc5)O[C@@H]4c4ccccc4O)cc3)[C@@H](c3cccnc3)O2)cc1 |
| InChIKey | OSRDNFDKXRYQIE-JXOAZZMJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 845.3 |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL94692
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