CHEMBL6013964 [450314]
CHEMBL6013964
| SMILES | COC1=C(n2c(NS(=O)(=O)[C@@H](C)Cc3ncc(F)cn3)nnc2-c2ccn(C)n2)C(OC)NC=N1 |
| InChIKey | MJSPQMBOBVYCGS-PIJUOJQZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 0.357 |
| Molecular weight (Da) | 506.2 |
| Stereochemistry info | partial |
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 |
CHEMBL6013964
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