General Information of the Compound
Compound ID
CP0016202
Compound Name
4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole
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Synonyms
152121-30-7
4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole
4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole
4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
C20H14FN3O
CHEBI:79090
FHPI
Oxindole 94
PVX798P8GI
Phenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-
SB 202190
SB 202190, Immobilized
SB-202190
SB202190
SB202190 (FHPI)
UNII-PVX798P8GI
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Structure
Formula
C20H14FN3O
Molecular Weight
331.35
Canonical SMILES
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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InChI
InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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InChIKey
QHKYPYXTTXKZST-UHFFFAOYSA-N
Physicochemical Property
logP
4.6504
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 5169
SID: 16770907
ChEMBL ID
CHEMBL278041
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3548.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 80.17 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Oxindole 94 )
Drug Name Oxindole 94
Indication
Pain
Investigative
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
Inhibitor
Cyclin-dependent kinase 8 (CDK8)
Inhibitor
Stress-activated protein kinase 2a (p38 alpha)
Inhibitor