General Information of the Compound
Compound ID
CP0845977
Compound Name
1,3-Bis-(4-sec-butyl-phenyl)-imidazolidin-2-ylideneamine hydrobromide
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Structure
Formula
C23H32BrN3
Molecular Weight
430.434
Canonical SMILES
Br.CCC(C)c1ccc(N2CCN(c3ccc(C(C)CC)cc3)C2=N)cc1
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InChI
InChI=1S/C23H31N3.BrH/c1-5-17(3)19-7-11-21(12-8-19)25-15-16-26(23(25)24)22-13-9-20(10-14-22)18(4)6-2;/h7-14,17-18,24H,5-6,15-16H2,1-4H3;1H
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InChIKey
YPEQKMIDJFGJKO-UHFFFAOYSA-N
Physicochemical Property
logP
6.55287
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
30.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 45261451
ChEMBL ID
CHEMBL542445
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 = 60 nM
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