General Information of the Compound
Compound ID
CP0435775
Compound Name
1-benzhydryl-4-(4-(dimethylamino)phenyl)piperidin-4-ol
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Structure
Formula
C26H30N2O
Molecular Weight
386.539
Canonical SMILES
CN(C)c1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H30N2O/c1-27(2)24-15-13-23(14-16-24)26(29)17-19-28(20-18-26)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25,29H,17-20H2,1-2H3
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InChIKey
ILUNODKBLBXQLL-UHFFFAOYSA-N
Physicochemical Property
logP
4.8256
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

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PubChem ID
CID: 10362733
SID: 15376107
ChEMBL ID
CHEMBL234761
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
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4544 nM
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