General Information of the Compound
Compound ID
CP0391571
Compound Name
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-ethyl-phenyl)-acrylamide
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Structure
Formula
C19H19NO3
Molecular Weight
309.365
Canonical SMILES
CCc1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
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InChI
InChI=1S/C19H19NO3/c1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17/h3-10,13H,2,11-12H2,1H3,(H,20,21)/b10-7+
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InChIKey
CHBUIMMDJBMLEL-JXMROGBWSA-N
Physicochemical Property
logP
3.6721
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
47.56
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: 9191541
SID: 16585163
ChEMBL ID
CHEMBL191940
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
2
IC50 = 220 nM
   TI
   LI
   LO
   TS