General Information of the Compound
Compound ID
CP0510141
Compound Name
2-chloro-6-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-4-carboxamide
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Structure
Formula
C21H17Cl2N3O4S
Molecular Weight
478.357
Canonical SMILES
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cc(cc(Cl)n2)C(=O)NC2CC2)c1
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InChI
InChI=1S/C21H17Cl2N3O4S/c22-14-4-8-18(9-5-14)31(28,29)26-16-2-1-3-17(12-16)30-20-11-13(10-19(23)25-20)21(27)24-15-6-7-15/h1-5,8-12,15,26H,6-7H2,(H,24,27)
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InChIKey
GHZVSVORWOLULA-UHFFFAOYSA-N
Physicochemical Property
logP
4.8737
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 71655250
ChEMBL ID
CHEMBL2391595
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 450 nM
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