General Information of the Compound
Compound ID
CP0474194
Compound Name
4-[4-(2-methoxyphenyl)piperidin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
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Structure
Formula
C23H23N5O
Molecular Weight
385.471
Canonical SMILES
COc1ccccc1C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
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InChI
InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-19(21)17-11-13-27(14-12-17)22-20-15-26-28(23(20)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3
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InChIKey
GASWIWINIINKDW-UHFFFAOYSA-N
Physicochemical Property
logP
4.2081
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
56.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 127034357
ChEMBL ID
CHEMBL3781668
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 = 1900 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 > 10000 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 > 10000 nM
   TI
   LI
   LO
   TS