General Information of the Compound
Compound ID
CP0384877
Compound Name
N-[2,6-dimethyl-4-(4-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide
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Structure
Formula
C19H28N2O2
Molecular Weight
316.445
Canonical SMILES
Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N1CCC(=O)CC1
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InChI
InChI=1S/C19H28N2O2/c1-13-10-15(21-8-6-16(22)7-9-21)11-14(2)18(13)20-17(23)12-19(3,4)5/h10-11H,6-9,12H2,1-5H3,(H,20,23)
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InChIKey
LIRCPWJGNKIFDJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.84744
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 73671695
ChEMBL ID
CHEMBL4128096
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 130 nM
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