General Information of the Compound
Compound ID
CP0247656
Compound Name
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
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Structure
Formula
C29H27FN2O3
Molecular Weight
470.544
Canonical SMILES
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1
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InChI
InChI=1S/C29H27FN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3
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InChIKey
KGDVHPZTXBPSIT-UHFFFAOYSA-N
Physicochemical Property
logP
5.6934
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
51.66
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 42432904
ChEMBL ID
CHEMBL4171968
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03440, Solute carrier family 2, facilitated glucose transporter member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
Protein ID: PT06906, Solute carrier family 2, facilitated glucose transporter member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6000 nM