General Information of the Compound
Compound ID
CP0504331
Compound Name
2-naphthalen-2-yl-N-(pyridin-4-ylmethyl)benzamide
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Structure
Formula
C23H18N2O
Molecular Weight
338.41
Canonical SMILES
O=C(NCc1ccncc1)c1ccccc1-c1ccc2ccccc2c1
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InChI
InChI=1S/C23H18N2O/c26-23(25-16-17-11-13-24-14-12-17)22-8-4-3-7-21(22)20-10-9-18-5-1-2-6-19(18)15-20/h1-15H,16H2,(H,25,26)
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InChIKey
CTFHVLQBPBPOLM-UHFFFAOYSA-N
Physicochemical Property
logP
4.8318
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 46890923
ChEMBL ID
CHEMBL1086270
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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   LI
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