General Information of the Compound
Compound ID
CP0908510
Compound Name
cis-N,N-dimethyl-1-phenyl-4-(piperidin-1-yl)cyclohexanamine hydrochloride
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Formula
C19H31ClN2
Molecular Weight
322.924
Canonical SMILES
CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1.Cl
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InChI
InChI=1S/C19H30N2.ClH/c1-20(2)19(17-9-5-3-6-10-17)13-11-18(12-14-19)21-15-7-4-8-16-21;/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3;1H/t18-,19+;
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InChIKey
BSTLITBDKBJSAZ-AQDIUKAZSA-N
Physicochemical Property
logP
4.2938
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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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ChEMBL ID
CHEMBL3325883
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 110 nM
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