General Information of the Compound
Compound ID
CP0414861
Compound Name
4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide
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Structure
Formula
C20H25N3O
Molecular Weight
323.44
Canonical SMILES
Cc1ccc(cc1)C(=O)NC(N)=NCCCCCc1ccccc1
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InChI
InChI=1S/C20H25N3O/c1-16-11-13-18(14-12-16)19(24)23-20(21)22-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H3,21,22,23,24)
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InChIKey
HSVNNPJEZQWEKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.45252
Rotatable Bonds
7
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: 22149344
ChEMBL ID
CHEMBL106610
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 = 2110 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 = 3600 nM
   TI
   LI
   LO
   TS