CHEMBL2042062 [157111]
CHEMBL2042062
| SMILES | COc1cccc2cc(C(=O)NCCCOCCCCOCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 |
| InChIKey | JNCOYVVDNPCLKB-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 17 |
| Log P | 3.909 |
| Molecular weight (Da) | 606.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL2042062
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