General Information of the Compound
Compound ID
CP0534357
Compound Name
3-(2,4-dichlorophenyl)-N-ethyl-1,5-dimethyl-N-pentylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C21H26Cl2N4
Molecular Weight
405.373
Canonical SMILES
CCCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C21H26Cl2N4/c1-5-7-8-11-27(6-2)18-12-14(3)24-20-19(25-26(4)21(18)20)16-10-9-15(22)13-17(16)23/h9-10,12-13H,5-8,11H2,1-4H3
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InChIKey
KMWAEVIXXRLUFC-UHFFFAOYSA-N
Physicochemical Property
logP
6.26702
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44341936
ChEMBL ID
CHEMBL112626
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 = 1.3 nM
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