General Information of the Compound
Compound ID
CP0441050
Compound Name
1-[3-(4-cyclohexylpiperidin-1-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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Structure
Formula
C25H37N3O2
Molecular Weight
411.59
Canonical SMILES
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)C1CCCCC1
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InChI
InChI=1S/C25H37N3O2/c1-26(2)25(30)23-18-21-10-6-7-11-22(21)28(23)24(29)14-17-27-15-12-20(13-16-27)19-8-4-3-5-9-19/h6-7,10-11,19-20,23H,3-5,8-9,12-18H2,1-2H3
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InChIKey
QCWXDDYYECBDTI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7149
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
43.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 70692895
SID: 163460864
ChEMBL ID
CHEMBL2064143
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 286 nM
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