General Information of the Compound
Compound ID
CP0470565
Compound Name
N,N-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
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Structure
Formula
C26H30F3N3O2
Molecular Weight
473.539
Canonical SMILES
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1C(F)(F)F
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InChI
InChI=1S/C26H30F3N3O2/c1-30(2)25(34)23-17-19-7-3-6-10-22(19)32(23)24(33)13-16-31-14-11-18(12-15-31)20-8-4-5-9-21(20)26(27,28)29/h3-10,18,23H,11-17H2,1-2H3
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InChIKey
IAJVLEUGAMKKGM-UHFFFAOYSA-N
Physicochemical Property
logP
4.321
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
43.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 70692894
SID: 163460667
ChEMBL ID
CHEMBL2064141
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 = 31.5 nM
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