General Information of the Compound
Compound ID
CP0375523
Compound Name
4-(2-(furan-2-yl)vinyl)pyrimidin-2-amine
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Structure
Formula
C10H9N3O
Molecular Weight
187.202
Canonical SMILES
Nc1nccc(\C=C\c2ccco2)n1
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InChI
InChI=1S/C10H9N3O/c11-10-12-6-5-8(13-10)3-4-9-2-1-7-14-9/h1-7H,(H2,11,12,13)/b4-3+
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InChIKey
MPNIETIKINOPSG-ONEGZZNKSA-N
Physicochemical Property
logP
1.8222
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
64.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 49862694
ChEMBL ID
CHEMBL1209742
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 9400 nM
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