General Information of the Compound
Compound ID
CP0385736
Compound Name
1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
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Structure
Formula
C23H24N6O2
Molecular Weight
416.485
Canonical SMILES
COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1OC
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InChI
InChI=1S/C23H24N6O2/c1-30-18-9-7-17(8-10-18)29-23-19(15-26-29)22(24-16-25-23)28-13-11-27(12-14-28)20-5-3-4-6-21(20)31-2/h3-10,15-16H,11-14H2,1-2H3
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InChIKey
HXRCCVXGXJOFHE-UHFFFAOYSA-N
Physicochemical Property
logP
3.1593
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
68.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 1385050
ChEMBL ID
CHEMBL3781625
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
CL000134 DLD-1 Homo sapiens (Human)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2600 nM
   TI
   LI
   LO
   TS
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000134 DLD-1 Homo sapiens (Human)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS