General Information of the Compound
Compound ID
CP0544544
Compound Name
6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C23H16Cl2N8
Molecular Weight
475.343
Canonical SMILES
Nc1nn(-c2ccc3cn[nH]c3c2)c2cc(cnc12)-c1ccnn1Cc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C23H16Cl2N8/c24-16-3-1-14(18(25)8-16)12-32-20(5-6-29-32)15-7-21-22(27-10-15)23(26)31-33(21)17-4-2-13-11-28-30-19(13)9-17/h1-11H,12H2,(H2,26,31)(H,28,30)
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InChIKey
ZTSBSKOYWGNDHO-UHFFFAOYSA-N
Physicochemical Property
logP
5.0976
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
103.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 146433574
ChEMBL ID
CHEMBL4527606
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 56.5 nM
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