General Information of the Compound
Compound ID
CP0895944
Compound Name
1-(3,5-dichloropyridin-4-yl)piperazine
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Structure
Formula
C9H11Cl2N3
Molecular Weight
232.114
Canonical SMILES
Clc1cncc(Cl)c1N1CCNCC1
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InChI
InChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
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InChIKey
GPCFTLKHUONISF-UHFFFAOYSA-N
Physicochemical Property
logP
1.798
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 2799984
ChEMBL ID
CHEMBL2441620
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: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 3500 nM
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