General Information of the Compound
Compound ID
CP0504543
Compound Name
5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(o1)-c1ccccc1
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InChI
InChI=1S/C23H22N2O3/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
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InChIKey
HRCJWSMGRBNLPF-UHFFFAOYSA-N
Physicochemical Property
logP
4.825
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
62.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 52942771
ChEMBL ID
CHEMBL1289571
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: PT05857, Neuropeptide S receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 31.62 nM
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