General Information of the Compound
Compound ID
CP0868662
Compound Name
trans-4-(2-(1H-indol-3-yl)ethoxy)-N,N-dimethyl-1-phenylcyclohexanamine
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Formula
C24H30N2O
Molecular Weight
362.517
Canonical SMILES
CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1
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InChI
InChI=1S/C24H30N2O/c1-26(2)24(20-8-4-3-5-9-20)15-12-21(13-16-24)27-17-14-19-18-25-23-11-7-6-10-22(19)23/h3-11,18,21,25H,12-17H2,1-2H3/t21-,24-
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InChIKey
ODGVWVZPVJLUQP-SAIGFBBZSA-N
Physicochemical Property
logP
5.1267
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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
CHEMBL3326225
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)  2
1
Ki = 2 nM
   TI
   LI
   LO
   TS
2
Ki = 20 nM
   TI
   LI
   LO
   TS