General Information of the Compound
Compound ID
CP0383545
Compound Name
4-methyl-N-[N'-(2-phenoxyethyl)carbamimidoyl]benzamide
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Structure
Formula
C17H19N3O2
Molecular Weight
297.358
Canonical SMILES
Cc1ccc(cc1)C(=O)NC(N)=NCCOc1ccccc1
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InChI
InChI=1S/C17H19N3O2/c1-13-7-9-14(10-8-13)16(21)20-17(18)19-11-12-22-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H3,18,19,20,21)
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InChIKey
YSXGWSPKNKLEGI-UHFFFAOYSA-N
Physicochemical Property
logP
2.11852
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
76.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 22149197
ChEMBL ID
CHEMBL106356
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 = 3230 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 = 14200 nM
   TI
   LI
   LO
   TS