General Information of the Compound
Compound ID
CP0501769
Compound Name
N-(2,3-dihydro-1H-inden-2-yl)-6-[ethyl(methyl)amino]pyrazine-2-carboxamide
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Structure
Formula
C17H20N4O
Molecular Weight
296.374
Canonical SMILES
CCN(C)c1cncc(n1)C(=O)NC1Cc2ccccc2C1
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InChI
InChI=1S/C17H20N4O/c1-3-21(2)16-11-18-10-15(20-16)17(22)19-14-8-12-6-4-5-7-13(12)9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,22)
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InChIKey
DEMDJJAMXXHZGV-UHFFFAOYSA-N
Physicochemical Property
logP
1.8299
Rotatable Bonds
4
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: 44438592
ChEMBL ID
CHEMBL247485
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 = 40 nM
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