General Information of the Compound
Compound ID
CP0476938
Compound Name
3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1,5-dimethyl-N-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C20H24Cl2N4O
Molecular Weight
407.345
Canonical SMILES
COCCN(C(C)C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C20H24Cl2N4O/c1-12(2)26(8-9-27-5)17-10-13(3)23-19-18(24-25(4)20(17)19)15-7-6-14(21)11-16(15)22/h6-7,10-12H,8-9H2,1-5H3
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InChIKey
ONQJXVGEKOAYRQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.11172
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
43.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 44341805
ChEMBL ID
CHEMBL325051
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 9.7 nM
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