General Information of the Compound
Compound ID
CP0109671
Compound Name
4-(3-Trityloxy-propyl)-1H-imidazole
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Structure
Formula
C25H24N2O
Molecular Weight
368.48
Canonical SMILES
C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1cnc[nH]1
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InChI
InChI=1S/C25H24N2O/c1-4-11-21(12-5-1)25(22-13-6-2-7-14-22,23-15-8-3-9-16-23)28-18-10-17-24-19-26-20-27-24/h1-9,11-16,19-20H,10,17-18H2,(H,26,27)
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InChIKey
GMCPLFMUIIAJCH-UHFFFAOYSA-N
Physicochemical Property
logP
5.351
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 11440060
SID: 16538254
ChEMBL ID
CHEMBL91576
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 240 nM
   TI
   LI
   LO
   TS