General Information of the Compound
| Compound ID |
CP0491588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(3-hydroxy-phenyl)-pentanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN2O2
|
||||||||||||||||||
| Molecular Weight |
384.907
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(c1)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN2O2/c23-20-8-6-19(7-9-20)22(27)10-13-25(14-11-22)12-2-4-18(16-24)17-3-1-5-21(26)15-17/h1,3,5-9,15,18,26-27H,2,4,10-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WEYKBNXSBLQOIY-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