General Information of the Compound
Compound ID
CP0853977
Compound Name
2-ethyl-5-(naphthalen-2-yl)penta-2,4-dienamido)acetate
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Structure
Formula
C19H19NO3
Molecular Weight
309.365
Canonical SMILES
CCOC(=O)CNC(=O)/C=C/C=C/c1ccc2ccccc2c1
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InChI
InChI=1S/C19H19NO3/c1-2-23-19(22)14-20-18(21)10-6-3-7-15-11-12-16-8-4-5-9-17(16)13-15/h3-13H,2,14H2,1H3,(H,20,21)/b7-3+,10-6+
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InChIKey
SFRFNXGRGVFFSN-ASVGJQBISA-N
Physicochemical Property
logP
3.0885
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 101884574
ChEMBL ID
CHEMBL3596739
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS