General Information of the Compound
Compound ID
CP0498089
Compound Name
N-[2-[4-(4-formylphenyl)phenyl]propyl]propane-2-sulfonamide
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Structure
Formula
C19H23NO3S
Molecular Weight
345.464
Canonical SMILES
CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(C=O)cc1
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InChI
InChI=1S/C19H23NO3S/c1-14(2)24(22,23)20-12-15(3)17-8-10-19(11-9-17)18-6-4-16(13-21)5-7-18/h4-11,13-15,20H,12H2,1-3H3
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InChIKey
ROWZLJVYZYQWLP-UHFFFAOYSA-N
Physicochemical Property
logP
3.5974
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 10783725
SID: 15822384
ChEMBL ID
CHEMBL343972
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: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 250 nM
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