General Information of the Compound
Compound ID
CP0497887
Compound Name
4-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
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Structure
Formula
C20H19N3O
Molecular Weight
317.392
Canonical SMILES
Cc1ccc(cc1)C(=O)NC(N)=NCc1cccc2ccccc12
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InChI
InChI=1S/C20H19N3O/c1-14-9-11-16(12-10-14)19(24)23-20(21)22-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H3,21,22,23,24)
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InChIKey
VPWXWSXUPGZSLH-UHFFFAOYSA-N
Physicochemical Property
logP
3.39292
Rotatable Bonds
3
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: 22149230
ChEMBL ID
CHEMBL108627
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 = 2380 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 = 8850 nM
   TI
   LI
   LO
   TS