General Information of the Compound
Compound ID
CP0463539
Compound Name
3-(2,4-dichlorophenyl)-N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C20H24Cl2N4O2
Molecular Weight
423.344
Canonical SMILES
COCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C20H24Cl2N4O2/c1-13-11-17(26(7-9-27-3)8-10-28-4)20-19(23-13)18(24-25(20)2)15-6-5-14(21)12-16(15)22/h5-6,11-12H,7-10H2,1-4H3
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InChIKey
FHTOTHHKXBXMIN-UHFFFAOYSA-N
Physicochemical Property
logP
4.34972
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
52.41
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 44341814
ChEMBL ID
CHEMBL325918
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 = 8.2 nM
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