General Information of the Compound
Compound ID
CP0469527
Compound Name
N-[(4-hydroxy-3-methoxy-5-phenylphenyl)methyl]nonanamide
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Structure
Formula
C23H31NO3
Molecular Weight
369.505
Canonical SMILES
CCCCCCCCC(=O)NCc1cc(OC)c(O)c(c1)-c1ccccc1
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InChI
InChI=1S/C23H31NO3/c1-3-4-5-6-7-11-14-22(25)24-17-18-15-20(19-12-9-8-10-13-19)23(26)21(16-18)27-2/h8-10,12-13,15-16,26H,3-7,11,14,17H2,1-2H3,(H,24,25)
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InChIKey
JAMXJFOWWYJGRF-UHFFFAOYSA-N
Physicochemical Property
logP
5.4346
Rotatable Bonds
11
Heavy Atom Count
27
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 44398772
ChEMBL ID
CHEMBL189961
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 20000 nM
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