General Information of the Compound
Compound ID
CP0543594
Compound Name
3-chloro-N-[3-[4-(2-imidazo[4,5-b]pyridin-3-ylacetyl)piperazin-1-yl]pyridin-2-yl]benzamide
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Structure
Formula
C24H22ClN7O2
Molecular Weight
475.94
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1ncccc1N1CCN(CC1)C(=O)Cn1cnc2cccnc12
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InChI
InChI=1S/C24H22ClN7O2/c25-18-5-1-4-17(14-18)24(34)29-22-20(7-3-8-26-22)30-10-12-31(13-11-30)21(33)15-32-16-28-19-6-2-9-27-23(19)32/h1-9,14,16H,10-13,15H2,(H,26,29,34)
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InChIKey
GGMGCLSFRNOFOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.0808
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
96.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 168271845
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: PT03433, C-X-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 177 nM
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