General Information of the Compound
Compound ID
CP0373951
Compound Name
N-[6-(1H-pyrazol-5-yl)-5-pyridin-4-ylpyridin-2-yl]cyclopropanecarboxamide
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Structure
Formula
C17H15N5O
Molecular Weight
305.341
Canonical SMILES
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cc[nH]n1)C1CC1
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InChI
InChI=1S/C17H15N5O/c23-17(12-1-2-12)21-15-4-3-13(11-5-8-18-9-6-11)16(20-15)14-7-10-19-22-14/h3-10,12H,1-2H2,(H,19,22)(H,20,21,23)
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InChIKey
OZILKDFUSAMEAC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8822
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 46880472
ChEMBL ID
CHEMBL1080678
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 = 202 nM
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