General Information of the Compound
Compound ID
CP0516510
Compound Name
N-[6-(1,3-oxazol-5-yl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
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Structure
Formula
C16H13N5O2
Molecular Weight
307.313
Canonical SMILES
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
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InChI
InChI=1S/C16H13N5O2/c22-16(11-1-2-11)21-13-8-19-14(10-3-5-17-6-4-10)15(20-13)12-7-18-9-23-12/h3-9,11H,1-2H2,(H,20,21,22)
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InChIKey
WIPKZBPVDCSZIB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5421
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
93.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 53325341
ChEMBL ID
CHEMBL1672625
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 = 634 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 = 43 nM
   TI
   LI
   LO
   TS