General Information of the Compound
| Compound ID |
CP0421006
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(2,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl2FNO2
|
||||||||||||||||||
| Molecular Weight |
410.316
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEJCRLZCGDBNPH-UHFFFAOYSA-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