General Information of the Compound
Compound ID
CP0435135
Compound Name
(E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
    Show/Hide
Structure
Formula
C21H15F2NO3S
Molecular Weight
399.418
Canonical SMILES
NC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
    Show/Hide
InChI
InChI=1S/C21H15F2NO3S/c22-17-8-5-15(20(23)13-17)4-1-14-2-9-18(10-3-14)28(26,27)19-11-6-16(7-12-19)21(24)25/h1-13H,(H2,24,25)/b4-1+
    Show/Hide
InChIKey
UZLABACTMPVNHT-DAFODLJHSA-N
Physicochemical Property
logP
4.0669
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
77.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 21099505
ChEMBL ID
CHEMBL1082467
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.65 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 41 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7919 nM
   TI
   LI
   LO
   TS