General Information of the Compound
Compound ID
CP0411631
Compound Name
N,N-dibenzyl-1-hydroxynaphthalene-2-carboxamide
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Structure
Formula
C25H21NO2
Molecular Weight
367.448
Canonical SMILES
Oc1c(ccc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1
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InChI
InChI=1S/C25H21NO2/c27-24-22-14-8-7-13-21(22)15-16-23(24)25(28)26(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-16,27H,17-18H2
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InChIKey
WNTYDEKGVIJHAE-UHFFFAOYSA-N
Physicochemical Property
logP
5.388
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 20574550
ChEMBL ID
CHEMBL3356625
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 3500 nM
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