General Information of the Compound
Compound ID
CP0427278
Compound Name
2,6-dichloro-N-[N'-(4-phenylbutyl)carbamimidoyl]benzamide
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Structure
Formula
C18H19Cl2N3O
Molecular Weight
364.276
Canonical SMILES
NC(NC(=O)c1c(Cl)cccc1Cl)=NCCCCc1ccccc1
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InChI
InChI=1S/C18H19Cl2N3O/c19-14-10-6-11-15(20)16(14)17(24)23-18(21)22-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H3,21,22,23,24)
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InChIKey
JWJQGUNULCBYAL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0608
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
67.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 22149360
ChEMBL ID
CHEMBL110352
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: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5030 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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5400 nM
   TI
   LI
   LO
   TS