General Information of the Compound
Compound ID
CP0485373
Compound Name
10-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-oxooctadecanamide
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Structure
Formula
C26H43NO5
Molecular Weight
449.632
Canonical SMILES
CCCCCCC(=O)CC(O)CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
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InChI
InChI=1S/C26H43NO5/c1-3-4-5-10-13-22(28)19-23(29)14-11-8-6-7-9-12-15-26(31)27-20-21-16-17-24(30)25(18-21)32-2/h16-18,23,29-30H,3-15,19-20H2,1-2H3,(H,27,31)
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InChIKey
FQDLHDDTIWHARD-UHFFFAOYSA-N
Physicochemical Property
logP
5.4283
Rotatable Bonds
19
Heavy Atom Count
32
Polar Areas
95.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 145985363
ChEMBL ID
CHEMBL4250750
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)  1
1
IC50 > 10000 nM
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