General Information of the Compound
Compound ID
CP0391142
Compound Name
4-[1-(2-methoxyphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
    Show/Hide
Structure
Formula
C23H23N5O
Molecular Weight
385.471
Canonical SMILES
COc1ccccc1N1CCC(CC1)c1ncnc2n(ncc12)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-20(21)27-13-11-17(12-14-27)22-19-15-26-28(23(19)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3
    Show/Hide
InChIKey
LVVDHQDOHCRLCL-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127034358
ChEMBL ID
CHEMBL3781290
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 = 470 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 = 1200 nM
   TI
   LI
   LO
   TS