General Information of the Compound
Compound ID
CP0521455
Compound Name
4-chloro-1-ethyl-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
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Structure
Formula
C10H11ClN4O
Molecular Weight
238.678
Canonical SMILES
CCn1ncc2c(Cl)c(cnc12)C(=O)NC
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InChI
InChI=1S/C10H11ClN4O/c1-3-15-9-6(5-14-15)8(11)7(4-13-9)10(16)12-2/h4-5H,3H2,1-2H3,(H,12,16)
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InChIKey
RILOJFZTOPJYOG-UHFFFAOYSA-N
Physicochemical Property
logP
1.4642
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 46883932
ChEMBL ID
CHEMBL1094032
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 > 6309.57 nM
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