General Information of the Compound
Compound ID
CP0487480
Compound Name
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-N,N-dimethyl-2-oxo-1H-pyridine-3-carboxamide
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Formula
C20H26N2O5
Molecular Weight
374.437
Canonical SMILES
CCCCc1[nH]c(=O)c(C(=O)N(C)C)c(O)c1-c1c(OC)cccc1OC
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InChI
InChI=1S/C20H26N2O5/c1-6-7-9-12-15(16-13(26-4)10-8-11-14(16)27-5)18(23)17(19(24)21-12)20(25)22(2)3/h8,10-11H,6-7,9H2,1-5H3,(H2,21,23,24)
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InChIKey
OJHBHYPBUXLUGB-UHFFFAOYSA-N
Physicochemical Property
logP
2.8091
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
91.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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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ChEMBL ID
CHEMBL4854830
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: PT05078, Apelin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT06297, Apelin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 1200 nM
   TI
   LI
   LO
   TS