General Information of the Compound
Compound ID
CP0373972
Compound Name
N-(5,6-dipyridin-4-ylpyridin-2-yl)cyclopropanecarboxamide
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Structure
Formula
C19H16N4O
Molecular Weight
316.364
Canonical SMILES
O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
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InChI
InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
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InChIKey
YDGZTEVHLPBBGZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5541
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
67.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 46880510
ChEMBL ID
CHEMBL1081041
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 338 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 163 nM
   TI
   LI
   LO
   TS
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 = 14 nM
   TI
   LI
   LO
   TS