General Information of the Compound
Compound ID
CP0485374
Compound Name
(Z)-N-(2-hydroxyethyl)docos-13-enamide
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Structure
Formula
C24H47NO2
Molecular Weight
381.645
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCO
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InChI
InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
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InChIKey
UGYSMGXRWBTMRZ-KTKRTIGZSA-N
CAS
18190-74-4
Physicochemical Property
logP
6.6928
Rotatable Bonds
21
Heavy Atom Count
27
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 6436482
SID: 163542665
ChEMBL ID
CHEMBL1672682
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 = 740 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS