General Information of the Compound
Compound ID
CP0484289
Compound Name
4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
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Structure
Formula
C15H21N5O
Molecular Weight
287.367
Canonical SMILES
Cc1ccnn1CCOc1cc(ncn1)N1CCCCC1
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InChI
InChI=1S/C15H21N5O/c1-13-5-6-18-20(13)9-10-21-15-11-14(16-12-17-15)19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3
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InChIKey
KTPNKVKVBOZASU-UHFFFAOYSA-N
Physicochemical Property
logP
2.05082
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
56.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 166634775
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: PT05231, Very long chain fatty acid elongase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 140 nM
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