General Information of the Compound
Compound ID
CP0383538
Compound Name
4-methoxy-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
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Structure
Formula
C29H28N2O4
Molecular Weight
468.553
Canonical SMILES
COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCc2cccc(OC)c2)c1
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InChI
InChI=1S/C29H28N2O4/c1-33-26-11-9-25(10-12-26)29(32)31(19-22-13-15-30-16-14-22)20-23-5-3-8-28(17-23)35-21-24-6-4-7-27(18-24)34-2/h3-18H,19-21H2,1-2H3
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InChIKey
UHWCIAZVEIMHSF-UHFFFAOYSA-N
Physicochemical Property
logP
5.5204
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
60.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 135187266
ChEMBL ID
CHEMBL4160688
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 = 28500 nM
   TI
   LI
   LO
   TS
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 = 11000 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