General Information of the Compound
Compound ID
CP0464270
Compound Name
N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
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Structure
Formula
C25H26N4O4S
Molecular Weight
478.574
Canonical SMILES
NS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12
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InChI
InChI=1S/C25H26N4O4S/c26-34(31,32)29-18-25(22-8-4-5-9-23(22)29)14-16-28(17-15-25)24(30)27-19-10-12-21(13-11-19)33-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,27,30)(H2,26,31,32)
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InChIKey
RMCBIFCAUXHOHB-UHFFFAOYSA-N
Physicochemical Property
logP
4.0681
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
104.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 18004920
ChEMBL ID
CHEMBL492999
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 3 nM
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