General Information of the Compound
Compound ID
CP0461005
Compound Name
2-(2-(bis(4-fluorophenyl)methyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)acetic acid
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Structure
Formula
C24H17F3N2O2
Molecular Weight
422.406
Canonical SMILES
OC(=O)Cc1[nH]c(nc1-c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1
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InChI
InChI=1S/C24H17F3N2O2/c25-17-7-1-14(2-8-17)22(15-3-9-18(26)10-4-15)24-28-20(13-21(30)31)23(29-24)16-5-11-19(27)12-6-16/h1-12,22H,13H2,(H,28,29)(H,30,31)
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InChIKey
TYZQQACSZMJZRK-UHFFFAOYSA-N
Physicochemical Property
logP
5.3013
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 46880940
ChEMBL ID
CHEMBL1086857
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000771 HEK385-7 Homo sapiens (Human)  2
1
IC50 = 9140 nM
   TI
   LI
   LO
   TS
2
IC50 > 100 nM
   TI
   LI
   LO
   TS