General Information of the Compound
Compound ID
CP0021623
Compound Name
4-{3-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-morpholine
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Synonyms
AB01092380-01
BDBM50053424
CHEMBL14112
HMS3303P01
HMS3305H01
NCGC00241904-01
SB-210313
SCHEMBL4918397
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Structure
Formula
C21H23FN4O
Molecular Weight
366.44
Canonical SMILES
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncc1
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InChI
InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
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InChIKey
ANWALZPQHPAZFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.4735
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
43.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 9885504
SID: 14852801
ChEMBL ID
CHEMBL14112
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB-210313 )
Drug Name SB-210313
Target(s)
Debrisoquine 4-hydroxylase (CYP2D6)
 Target Info 
Inhibitor