General Information of the Compound
Compound ID
CP0568512
Compound Name
1-[4-(4-cyclopropylpyrazol-1-yl)pyridin-3-yl]-N,N-dimethylpiperidine-4-carboxamide
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Structure
Formula
C19H25N5O
Molecular Weight
339.443
Canonical SMILES
CN(C)C(=O)C1CCN(CC1)c1cnccc1-n1cc(cn1)C1CC1
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InChI
InChI=1S/C19H25N5O/c1-22(2)19(25)15-6-9-23(10-7-15)18-12-20-8-5-17(18)24-13-16(11-21-24)14-3-4-14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
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InChIKey
KJDOXDIMWMEMOH-UHFFFAOYSA-N
Physicochemical Property
logP
2.4493
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
54.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 118450464
ChEMBL ID
CHEMBL4538165
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 = 12 nM
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