General Information of the Compound
Compound ID
CP0479043
Compound Name
N,N-dimethyl-4-[(E)-2-phenylethenyl]pyrimidin-2-amine
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Structure
Formula
C14H15N3
Molecular Weight
225.295
Canonical SMILES
CN(C)c1nccc(\C=C\c2ccccc2)n1
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InChI
InChI=1S/C14H15N3/c1-17(2)14-15-11-10-13(16-14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
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InChIKey
JTEGYPWWUFLNOI-CMDGGOBGSA-N
Physicochemical Property
logP
2.713
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
29.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 49862463
ChEMBL ID
CHEMBL1209433
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 > 30000 nM
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