General Information of the Compound
Compound ID
CP0572085
Compound Name
N,N-dimethyl-1-(4-pyrazol-1-ylpyridin-3-yl)piperidine-4-carboxamide
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Structure
Formula
C16H21N5O
Molecular Weight
299.378
Canonical SMILES
CN(C)C(=O)C1CCN(CC1)c1cnccc1-n1cccn1
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InChI
InChI=1S/C16H21N5O/c1-19(2)16(22)13-5-10-20(11-6-13)15-12-17-8-4-14(15)21-9-3-7-18-21/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3
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InChIKey
SXWXWNVGLHVWJF-UHFFFAOYSA-N
Physicochemical Property
logP
1.5719
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
54.26
Hydrogen Bond Donor Count
0
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: 118450716
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: PT04604, Cholesterol 24-hydroxylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 48 nM
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