General Information of the Compound
Compound ID
CP0451360
Compound Name
N,N-dibutyl-3-(2,4-dichlorophenyl)-5-methyl-2-propylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C24H32Cl2N4
Molecular Weight
447.454
Canonical SMILES
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CCC)nc12
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InChI
InChI=1S/C24H32Cl2N4/c1-5-8-13-29(14-9-6-2)21-15-17(4)27-23-22(21)28-30(12-7-3)24(23)19-11-10-18(25)16-20(19)26/h10-11,15-16H,5-9,12-14H2,1-4H3
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InChIKey
NWTNSJUZFWVFKP-UHFFFAOYSA-N
Physicochemical Property
logP
7.53012
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44341734
ChEMBL ID
CHEMBL116010
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
CL000809 HEK273 Homo sapiens (Human)  1
1
Ki = 64 nM
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