General Information of the Compound
Compound ID
CP0047443
Compound Name
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-phenyl-acrylamide
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Structure
Formula
C17H15NO3
Molecular Weight
281.311
Canonical SMILES
O=C(Nc1ccc2OCCOc2c1)\C=C\c1ccccc1
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InChI
InChI=1S/C17H15NO3/c19-17(9-6-13-4-2-1-3-5-13)18-14-7-8-15-16(12-14)21-11-10-20-15/h1-9,12H,10-11H2,(H,18,19)/b9-6+
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InChIKey
YUWGYIKUNIEZHJ-RMKNXTFCSA-N
CAS
5840-43-7
Physicochemical Property
logP
3.1097
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 732540
SID: 16352003
ChEMBL ID
CHEMBL192984
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)  1
1
IC50 > 4000 nM
   TI
   LI
   LO
   TS