General Information of the Compound
Compound ID
CP0391843
Compound Name
(E)-3-(4-tert-Butyl-phenyl)-N-(5,6,7,8-tetrahydro-naphthalen-2-yl)-acrylamide
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Structure
Formula
C23H27NO
Molecular Weight
333.475
Canonical SMILES
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3CCCCc3c2)cc1
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InChI
InChI=1S/C23H27NO/c1-23(2,3)20-12-8-17(9-13-20)10-15-22(25)24-21-14-11-18-6-4-5-7-19(18)16-21/h8-16H,4-7H2,1-3H3,(H,24,25)/b15-10+
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InChIKey
YHWOIWRKZSFZLR-XNTDXEJSSA-N
Physicochemical Property
logP
5.5148
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 10215278
SID: 15214277
ChEMBL ID
CHEMBL190818
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 = 61 nM
   TI
   LI
   LO
   TS
2
IC50 = 960 nM
   TI
   LI
   LO
   TS