General Information of the Compound
Compound ID
CP0850180
Compound Name
1,3-Diphenyl-imidazolidin-2-ylideneamine hydrobromide
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Structure
Formula
C15H16BrN3
Molecular Weight
318.218
Canonical SMILES
Br.N=C1N(c2ccccc2)CCN1c1ccccc1
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InChI
InChI=1S/C15H15N3.BrH/c16-15-17(13-7-3-1-4-8-13)11-12-18(15)14-9-5-2-6-10-14;/h1-10,16H,11-12H2;1H
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InChIKey
OYPFEYJLVLEMOP-UHFFFAOYSA-N
Physicochemical Property
logP
3.52587
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
30.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 24196983
ChEMBL ID
CHEMBL554829
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 = 14680 nM
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