General Information of the Compound
Compound ID
CP0473627
Compound Name
4-(2-fluorostyryl)pyrimidin-2-amine
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Structure
Formula
C12H10FN3
Molecular Weight
215.231
Canonical SMILES
Nc1nccc(\C=C\c2ccccc2F)n1
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InChI
InChI=1S/C12H10FN3/c13-11-4-2-1-3-9(11)5-6-10-7-8-15-12(14)16-10/h1-8H,(H2,14,15,16)/b6-5+
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InChIKey
FUKWBBBWJYHPRK-AATRIKPKSA-N
Physicochemical Property
logP
2.3683
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 49862581
ChEMBL ID
CHEMBL1208800
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 = 2900 nM
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