General Information of the Compound
Compound ID
CP0535142
Compound Name
3-phenyl-N-(1-phenylpentyl)naphthalene-1-carboxamide
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Structure
Formula
C28H27NO
Molecular Weight
393.53
Canonical SMILES
CCCCC(NC(=O)c1cc(cc2ccccc12)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C28H27NO/c1-2-3-18-27(22-14-8-5-9-15-22)29-28(30)26-20-24(21-12-6-4-7-13-21)19-23-16-10-11-17-25(23)26/h4-17,19-20,27H,2-3,18H2,1H3,(H,29,30)
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InChIKey
IVJNOHQDQMKVOY-UHFFFAOYSA-N
Physicochemical Property
logP
7.1681
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
30

"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: 52947724
ChEMBL ID
CHEMBL1277075
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: PT01199, Neuromedin-K receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 158.49 nM
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