General Information of the Compound
Compound ID
CP0400402
Compound Name
N-(6-chloro-5-pyridin-4-ylpyridin-2-yl)cyclopropanecarboxamide
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Structure
Formula
C14H12ClN3O
Molecular Weight
273.723
Canonical SMILES
Clc1nc(NC(=O)C2CC2)ccc1-c1ccncc1
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InChI
InChI=1S/C14H12ClN3O/c15-13-11(9-5-7-16-8-6-9)3-4-12(17-13)18-14(19)10-1-2-10/h3-8,10H,1-2H2,(H,17,18,19)
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InChIKey
UWIFNOKIIITOJR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1455
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 46880417
ChEMBL ID
CHEMBL1082003
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: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 380 nM
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