General Information of the Compound
Compound ID
CP0416230
Compound Name
N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
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Structure
Formula
C18H29NO3
Molecular Weight
307.434
Canonical SMILES
CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
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InChI
InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-18(21)19-14-15-11-12-16(20)17(13-15)22-2/h11-13,20H,3-10,14H2,1-2H3,(H,19,21)
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InChIKey
QLHTWDQJPOTDMV-UHFFFAOYSA-N
CAS
31078-36-1
Physicochemical Property
logP
4.1577
Rotatable Bonds
11
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 169252
SID: 14898711
ChEMBL ID
CHEMBL86708
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 83 nM
   TI
   LI
   LO
   TS
2
Ki = 864 nM
   TI
   LI
   LO
   TS