compound 3 [PMID: 21310611] [2248]
compound 3 [PMID: 21310611]
| SMILES | CC1(OC(=O)N2CCC([C@H](F)CNC(=O)Cc3c(F)ccc(F)c3F)CC2)CC1 |
| InChIKey | QCIKTRZVLCLGFT-MRXNPFEDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 3.502 |
| Molecular weight (Da) | 416.2 |
| Stereochemistry info | full |
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 |
compound 3 [PMID: 21310611]
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