General Information of the Compound
Compound ID
CP0422796
Compound Name
N-[(2-chloro-6-methoxypyridin-4-yl)carbamoyl]-1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridine-5-carboxamide
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Structure
Formula
C19H21ClN6O3
Molecular Weight
416.869
Canonical SMILES
COc1cc(NC(=O)NC(=O)c2cc(C(C)C)c3n(C)nc(C)c3n2)cc(Cl)n1
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InChI
InChI=1S/C19H21ClN6O3/c1-9(2)12-8-13(22-16-10(3)25-26(4)17(12)16)18(27)24-19(28)21-11-6-14(20)23-15(7-11)29-5/h6-9H,1-5H3,(H2,21,23,24,27,28)
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InChIKey
QBEOCWNFXNCPNJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.41902
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
111.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 145966801
ChEMBL ID
CHEMBL4208671
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: PT01837, Sphingosine 1-phosphate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
IC50 > 1000 nM
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   LI
   LO
   TS