General Information of the Compound
Compound ID
CP0414940
Compound Name
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide
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Structure
Formula
C18H35NO2
Molecular Weight
297.483
Canonical SMILES
CCCCCC\C=C/CCCCCCCC(=O)NCCO
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InChI
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
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InChIKey
WFRLANWAASSSFV-FPLPWBNLSA-N
Physicochemical Property
logP
4.3522
Rotatable Bonds
15
Heavy Atom Count
21
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 9835868
SID: 14796107
ChEMBL ID
CHEMBL4247440
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 = 1700 nM
   TI
   LI
   LO
   TS
2
IC50 = 3500 nM
   TI
   LI
   LO
   TS