General Information of the Compound
Compound ID
CP0103219
Compound Name
7-ethoxy-1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
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Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
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InChI
InChI=1S/C17H18N2O2/c1-3-21-16-10-15-12(6-7-17(20)19(15)2)9-14(16)13-5-4-8-18-11-13/h4-5,8-11H,3,6-7H2,1-2H3
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InChIKey
OKZQWDIOWQYOGL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0563
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 62707515
SID: 148139173
ChEMBL ID
CHEMBL2165317
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 790 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS