General Information of the Compound
Compound ID
CP0323451
Compound Name
3-[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]pyridin-2-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
    Show/Hide
Structure
Formula
C25H25Cl3N4O4S
Molecular Weight
583.925
Canonical SMILES
Clc1cnc(Oc2cccc(c2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
    Show/Hide
InChI
InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-7-8-21(27)22(28)15-20)25(30-16-18)36-19-6-4-5-17(13-19)24(33)29-9-12-32-10-2-1-3-11-32/h4-8,13-16,31H,1-3,9-12H2,(H,29,33)
    Show/Hide
InChIKey
ANRVKRAATRXECV-UHFFFAOYSA-N
Physicochemical Property
logP
5.8506
Rotatable Bonds
9
Heavy Atom Count
37
Polar Areas
100.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57393218
ChEMBL ID
CHEMBL1924007
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)  2
1
Ki = 79 nM
   TI
   LI
   LO
   TS
2
Ki = 1259 nM
   TI
   LI
   LO
   TS