General Information of the Compound
Compound ID
CP0502681
Compound Name
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazol-3-ium;chloride
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Synonyms
1-(Bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1H-imidazolium
1-[Bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazol-3-ium;chloride
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium
1-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium
1H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-
3-[bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)
95013-41-5
BDBM50323389
BDBM76238
BRD-A26199074-003-01-2
CCG-204367
CHEBI:75400
CHEMBL1208858
CHEMBL1229168
Calmidazolium
Calmidazolium ion
DTXSID30915173
HSCI1_000319
Lopac0_000272
MLS002172477
NCGC00015233-02
NCGC00015233-03
NCGC00015233-04
NCGC00015233-08
NCGC00162113-01
NCGC00167775-01
Probes1_000251
Probes2_000292
Q27145276
R24571
SCHEMBL8224791
SMR001254103
SR-01000075486
SR-01000075486-7
SR-01000075486-8
cid_644274
methoxy]ethyl]-1H-imidazolium
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Structure
Formula
C31H23Cl6N2O+
Molecular Weight
652.256
Canonical SMILES
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
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InChI
InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
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InChIKey
CTKNMSVWMRRCPW-UHFFFAOYSA-N
CAS
95013-41-5
Physicochemical Property
logP
10.2918
Rotatable Bonds
9
Heavy Atom Count
40
Polar Areas
18.04
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
40

"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: 2531
ChEMBL ID
CHEMBL1229168
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Calmidazolium )
Drug Name Calmidazolium
Indication
Huntington disease
Investigative