General Information of the Compound
| Compound ID |
CP0463769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Benzyloxy-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClN2O2
|
||||||||||||||||||
| Molecular Weight |
475.032
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CCCC(C#N)c2ccc(OCc3ccccc3)cc2)CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClN2O2/c30-27-12-10-26(11-13-27)29(33)16-19-32(20-17-29)18-4-7-25(21-31)24-8-14-28(15-9-24)34-22-23-5-2-1-3-6-23/h1-3,5-6,8-15,25,33H,4,7,16-20,22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKNAGUCXNAHDEQ-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