General Information of the Compound
Compound ID
CP0469528
Compound Name
N-[(2-acetamido-4-hydroxy-3-methoxyphenyl)methyl]nonanamide
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Structure
Formula
C19H30N2O4
Molecular Weight
350.459
Canonical SMILES
CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1NC(C)=O
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InChI
InChI=1S/C19H30N2O4/c1-4-5-6-7-8-9-10-17(24)20-13-15-11-12-16(23)19(25-3)18(15)21-14(2)22/h11-12,23H,4-10,13H2,1-3H3,(H,20,24)(H,21,22)
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InChIKey
INZGNWFXQYWYIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.726
Rotatable Bonds
11
Heavy Atom Count
25
Polar Areas
87.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 11348681
SID: 16440263
ChEMBL ID
CHEMBL189913
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 9544 nM
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