General Information of the Compound
Compound ID
CP0555808
Compound Name
7-fluoro-2,3-dimethyl-N-(2-naphthalen-2-yloxyethyl)quinoxaline-5-carboxamide
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Structure
Formula
C23H20FN3O2
Molecular Weight
389.43
Canonical SMILES
Cc1nc2cc(F)cc(C(=O)NCCOc3ccc4ccccc4c3)c2nc1C
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InChI
InChI=1S/C23H20FN3O2/c1-14-15(2)27-22-20(12-18(24)13-21(22)26-14)23(28)25-9-10-29-19-8-7-16-5-3-4-6-17(16)11-19/h3-8,11-13H,9-10H2,1-2H3,(H,25,28)
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InChIKey
PZAXZOOYOZTSGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.34774
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 51119310
ChEMBL ID
CHEMBL4759509
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: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1258.93 nM
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   LI
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