General Information of the Compound
| Compound ID |
CP0070212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-[(1R,2S)-2-[2-(4-ethylsulfonyl-2-fluorophenoxy)ethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32FN3O4S
|
||||||||||||||||||
| Molecular Weight |
465.591
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32FN3O4S/c1-4-32(28,29)18-5-6-21(20(24)14-18)30-12-9-17-13-19(17)16-7-10-27(11-8-16)23-25-22(15(2)3)26-31-23/h5-6,14-17,19H,4,7-13H2,1-3H3/t17-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNQHWMYRNAVGSL-IEBWSBKVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound