General Information of the Compound
Compound ID
CP0521440
Compound Name
2-(5-(2,6-Dimethoxyphenyl)-1,2,4-triazin-3-yl)-N,Ndimethylethanamine
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Structure
Formula
C15H20N4O2
Molecular Weight
288.351
Canonical SMILES
COc1cccc(OC)c1-c1cnnc(CCN(C)C)n1
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InChI
InChI=1S/C15H20N4O2/c1-19(2)9-8-14-17-11(10-16-18-14)15-12(20-3)6-5-7-13(15)21-4/h5-7,10H,8-9H2,1-4H3
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InChIKey
CHFRAAKKXXWKDD-UHFFFAOYSA-N
Physicochemical Property
logP
1.6599
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
60.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 46233448
ChEMBL ID
CHEMBL596958
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS