General Information of the Compound
Compound ID
CP0510788
Compound Name
N-(2-methyl-1-phenylpropan-2-yl)quinoxaline-2-carboxamide
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Structure
Formula
C19H19N3O
Molecular Weight
305.381
Canonical SMILES
CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1
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InChI
InChI=1S/C19H19N3O/c1-19(2,12-14-8-4-3-5-9-14)22-18(23)17-13-20-15-10-6-7-11-16(15)21-17/h3-11,13H,12H2,1-2H3,(H,22,23)
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InChIKey
DQEWVIJXZPUPQA-UHFFFAOYSA-N
Physicochemical Property
logP
3.3809
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 9948445
SID: 14923147
ChEMBL ID
CHEMBL393681
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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