General Information of the Compound
Compound ID
CP0493539
Compound Name
3-(2,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C19H22Cl2N4O
Molecular Weight
393.318
Canonical SMILES
CCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C19H22Cl2N4O/c1-5-24(8-9-26-4)17-10-12(2)22-19-18(13(3)23-25(17)19)15-7-6-14(20)11-16(15)21/h6-7,10-11H,5,8-9H2,1-4H3
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InChIKey
RZHVUFIZFYXFHV-UHFFFAOYSA-N
Physicochemical Property
logP
4.79264
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
42.66
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 44305523
ChEMBL ID
CHEMBL302645
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 11 nM
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