General Information of the Compound
Compound ID
CP0473087
Compound Name
N-[4-(cyclobutylsulfamoyl)phenyl]pyridine-2-carboxamide
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Structure
Formula
C16H17N3O3S
Molecular Weight
331.397
Canonical SMILES
O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCC1)c1ccccn1
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InChI
InChI=1S/C16H17N3O3S/c20-16(15-6-1-2-11-17-15)18-12-7-9-14(10-8-12)23(21,22)19-13-4-3-5-13/h1-2,6-11,13,19H,3-5H2,(H,18,20)
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InChIKey
XVZKCJYHDNPXTK-UHFFFAOYSA-N
Physicochemical Property
logP
2.1647
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 49865291
ChEMBL ID
CHEMBL1223161
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 5000 nM
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