General Information of the Compound
Compound ID
CP0448195
Compound Name
N-[N'-(4-phenylbutyl)carbamimidoyl]furan-2-carboxamide
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Structure
Formula
C16H19N3O2
Molecular Weight
285.347
Canonical SMILES
NC(NC(=O)c1ccco1)=NCCCCc1ccccc1
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InChI
InChI=1S/C16H19N3O2/c17-16(19-15(20)14-10-6-12-21-14)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H3,17,18,19,20)
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InChIKey
OQXAFBFLDYTRFF-UHFFFAOYSA-N
Physicochemical Property
logP
2.347
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
80.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 44337552
ChEMBL ID
CHEMBL109127
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 = 13750 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 = 7900 nM
   TI
   LI
   LO
   TS