General Information of the Compound
Compound ID
CP0391132
Compound Name
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[4,3-c]pyridine
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Structure
Formula
C23H23N5O
Molecular Weight
385.471
Canonical SMILES
COc1ccccc1N1CCN(CC1)c1nccc2n(ncc12)-c1ccccc1
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InChI
InChI=1S/C23H23N5O/c1-29-22-10-6-5-9-21(22)26-13-15-27(16-14-26)23-19-17-25-28(20(19)11-12-24-23)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
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InChIKey
COSIGDXZSUEKJQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7557
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
46.42
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: 127030492
ChEMBL ID
CHEMBL3781757
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 = 4000 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 = 5000 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 = 2000 nM
   TI
   LI
   LO
   TS