General Information of the Compound
Compound ID
CP0469198
Compound Name
N-(5,6-dipyridin-4-ylpyrazin-2-yl)cyclopropanecarboxamide
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Structure
Formula
C18H15N5O
Molecular Weight
317.352
Canonical SMILES
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
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InChI
InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)
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InChIKey
YAPJZGXRIHUBAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.9491
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
80.66
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 16070448
SID: 24712892
ChEMBL ID
CHEMBL1672622
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 312 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 = 32 nM
   TI
   LI
   LO
   TS