General Information of the Compound
Compound ID
CP0387506
Compound Name
4-[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenoxy]-N-(2-piperidin-1-ylethyl)benzamide
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Structure
Formula
C26H26Cl3N3O4S
Molecular Weight
582.937
Canonical SMILES
Clc1ccc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
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InChI
InChI=1S/C26H26Cl3N3O4S/c27-19-6-11-25(24(16-19)31-37(34,35)21-9-10-22(28)23(29)17-21)36-20-7-4-18(5-8-20)26(33)30-12-15-32-13-2-1-3-14-32/h4-11,16-17,31H,1-3,12-15H2,(H,30,33)
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InChIKey
MOOYUABRDQDAPY-UHFFFAOYSA-N
Physicochemical Property
logP
6.4556
Rotatable Bonds
9
Heavy Atom Count
37
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
37

"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: 57393219
ChEMBL ID
CHEMBL1924012
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: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 63 nM
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