General Information of the Compound
Compound ID
CP0505622
Compound Name
N-cycloheptyl-5-piperidin-1-ylpyrazine-2-carboxamide
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Structure
Formula
C17H26N4O
Molecular Weight
302.422
Canonical SMILES
O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1
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InChI
InChI=1S/C17H26N4O/c22-17(20-14-8-4-1-2-5-9-14)15-12-19-16(13-18-15)21-10-6-3-7-11-21/h12-14H,1-11H2,(H,20,22)
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InChIKey
VJJURDQPHNBHLG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9195
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
58.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44438597
ChEMBL ID
CHEMBL246251
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 8 nM
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