General Information of the Compound
Compound ID
CP0858301
Compound Name
N-Benzyl-N-phenyl-guanidine hydrochloride
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Structure
Formula
C14H16ClN3
Molecular Weight
261.756
Canonical SMILES
Cl.N=C(N)N(Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C14H15N3.ClH/c15-14(16)17(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11H2,(H3,15,16);1H
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InChIKey
GFQILUAFALJKKE-UHFFFAOYSA-N
Physicochemical Property
logP
3.00847
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
53.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 9459
SID: 15716258
ChEMBL ID
CHEMBL543152
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: PT04059, 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 = 53000 nM
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