General Information of the Compound
Compound ID
CP0507355
Compound Name
3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,1,5-trimethylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C18H20Cl2N4O
Molecular Weight
379.291
Canonical SMILES
COCCN(C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C18H20Cl2N4O/c1-11-9-15(23(2)7-8-25-4)18-17(21-11)16(22-24(18)3)13-6-5-12(19)10-14(13)20/h5-6,9-10H,7-8H2,1-4H3
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InChIKey
HROVNJRYFDSFMK-UHFFFAOYSA-N
Physicochemical Property
logP
4.33312
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
43.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 9821153
SID: 14780029
ChEMBL ID
CHEMBL111960
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 = 32 nM
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   LI
   LO
   TS