General Information of the Compound
Compound ID
CP0407451
Compound Name
N-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-2-phenoxyacetamide
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Structure
Formula
C16H19N3O3
Molecular Weight
301.346
Canonical SMILES
CN(CCO)c1ccc(NC(=O)COc2ccccc2)cn1
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InChI
InChI=1S/C16H19N3O3/c1-19(9-10-20)15-8-7-13(11-17-15)18-16(21)12-22-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,18,21)
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InChIKey
WPYYLOLODSZJLD-UHFFFAOYSA-N
Physicochemical Property
logP
1.5276
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
74.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 71625318
ChEMBL ID
CHEMBL2380566
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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