General Information of the Compound
Compound ID
CP0574560
Compound Name
1-[4-(benzenesulfonamido)-2,6-diethylphenyl]-3-(N'-ethylcarbamimidoyl)urea
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Structure
Formula
C20H27N5O3S
Molecular Weight
417.535
Canonical SMILES
CCNC(=N)NC(=O)Nc1c(CC)cc(NS(=O)(=O)c2ccccc2)cc1CC
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InChI
InChI=1S/C20H27N5O3S/c1-4-14-12-16(25-29(27,28)17-10-8-7-9-11-17)13-15(5-2)18(14)23-20(26)24-19(21)22-6-3/h7-13,25H,4-6H2,1-3H3,(H4,21,22,23,24,26)
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InChIKey
YVPUTGJWZZKXLG-UHFFFAOYSA-N
Physicochemical Property
logP
3.27797
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
123.18
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 166627989
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: 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
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS