General Information of the Compound
Compound ID
CP0465094
Compound Name
N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
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Structure
Formula
C19H20Cl2N4O3S
Molecular Weight
455.367
Canonical SMILES
NS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
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InChI
InChI=1S/C19H20Cl2N4O3S/c20-15-6-5-13(11-16(15)21)23-18(26)24-9-7-19(8-10-24)12-25(29(22,27)28)17-4-2-1-3-14(17)19/h1-6,11H,7-10,12H2,(H,23,26)(H2,22,27,28)
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InChIKey
NJOSDSROZMAYPH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5826
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
95.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 18004995
ChEMBL ID
CHEMBL492986
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 = 4 nM
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