General Information of the Compound
Compound ID
CP0375520
Compound Name
5-chloro-4-styrylpyrimidin-2-amine
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Structure
Formula
C12H10ClN3
Molecular Weight
231.686
Canonical SMILES
Nc1ncc(Cl)c(\C=C\c2ccccc2)n1
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InChI
InChI=1S/C12H10ClN3/c13-10-8-15-12(14)16-11(10)7-6-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)/b7-6+
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InChIKey
MQMKMSBFMXKXQP-VOTSOKGWSA-N
Physicochemical Property
logP
2.8826
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: 49862527
ChEMBL ID
CHEMBL1209520
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 = 1600 nM
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