General Information of the Compound
Compound ID
CP0567518
Compound Name
5-chloro-N-methyl-N-(2-naphthalen-1-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
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Structure
Formula
C19H17ClN2O2
Molecular Weight
340.81
Canonical SMILES
CN(CCc1cccc2ccccc12)C(=O)c1c[nH]c(=O)c(Cl)c1
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InChI
InChI=1S/C19H17ClN2O2/c1-22(19(24)15-11-17(20)18(23)21-12-15)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,11-12H,9-10H2,1H3,(H,21,23)
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InChIKey
SVNHKXRGBRAVQQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4962
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
53.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 51105970
ChEMBL ID
CHEMBL4761896
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 = 14791.08 nM
   TI
   LI
   LO
   TS