General Information of the Compound
Compound ID
CP0405181
Compound Name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]hexadecanamide
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Structure
Formula
C24H40N2O3
Molecular Weight
404.595
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)N\N=C\c1ccc(O)c(OC)c1
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InChI
InChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)26-25-20-21-17-18-22(27)23(19-21)29-2/h17-20,27H,3-16H2,1-2H3,(H,26,28)/b25-20+
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InChIKey
ZWAVNZJXKSPVEF-LKUDQCMESA-N
Physicochemical Property
logP
6.3322
Rotatable Bonds
17
Heavy Atom Count
29
Polar Areas
70.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 136499958
ChEMBL ID
CHEMBL4249973
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: PT06137, Transient receptor potential cation channel subfamily V member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
2
IC50 = 6000 nM
   TI
   LI
   LO
   TS