General Information of the Compound
| Compound ID |
CP0456270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-fluorophenyl)-[1-[(1R,2R,4S)-4-[(4-fluorophenyl)methoxy]-2-hydroxycyclohexyl]piperidin-4-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F2NO3
|
||||||||||||||||||
| Molecular Weight |
429.507
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)OCc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F2NO3/c26-20-5-1-17(2-6-20)16-31-22-9-10-23(24(29)15-22)28-13-11-19(12-14-28)25(30)18-3-7-21(27)8-4-18/h1-8,19,22-24,29H,9-16H2/t22-,23+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDICXXFSABPGIP-RBZQAINGSA-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