General Information of the Compound
Compound ID
CP0859672
Compound Name
N,N'-Diphenyl-guanidine hydrobromide
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Structure
Formula
C13H14BrN3
Molecular Weight
292.18
Canonical SMILES
Br.N=C(Nc1ccccc1)Nc1ccccc1
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InChI
InChI=1S/C13H13N3.BrH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H
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InChIKey
DSESGJJGBBAHNW-UHFFFAOYSA-N
Physicochemical Property
logP
3.72327
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
47.91
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 91997200
SID: 15568290
ChEMBL ID
CHEMBL556117
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 > 14000 nM
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