General Information of the Compound
Compound ID
CP0496312
Compound Name
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-N-ethyl-1,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C20H22Cl2N4
Molecular Weight
389.33
Canonical SMILES
CCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C20H22Cl2N4/c1-4-26(11-13-5-6-13)17-9-12(2)23-19-18(24-25(3)20(17)19)15-8-7-14(21)10-16(15)22/h7-10,13H,4-6,11H2,1-3H3
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InChIKey
AXSAXWWLBPZENZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.48682
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 44341737
ChEMBL ID
CHEMBL332721
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 = 4.4 nM
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