General Information of the Compound
Compound ID
CP0383539
Compound Name
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)acetamide
    Show/Hide
Structure
Formula
C30H29FN2O3
Molecular Weight
484.571
Canonical SMILES
COc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1
    Show/Hide
InChI
InChI=1S/C30H29FN2O3/c1-35-28-11-7-24(8-12-28)20-30(34)33(21-25-13-16-32-17-14-25)22-26-3-2-4-29(19-26)36-18-15-23-5-9-27(31)10-6-23/h2-14,16-17,19H,15,18,20-22H2,1H3
    Show/Hide
InChIKey
WLSXINVPTHYSNM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6223
Rotatable Bonds
11
Heavy Atom Count
36
Polar Areas
51.66
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
36

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135186599
ChEMBL ID
CHEMBL4165190
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
CL000559 KMS-11 Homo sapiens (Human)  1
1
IC50 = 21800 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT07556, Solute carrier family 2, facilitated glucose transporter member 14
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 = 18200 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 > 100000 nM
   TI
   LI
   LO
   TS