General Information of the Compound
Compound ID
CP0126652
Compound Name
2-chloro-3-(1-prop-2-enylindol-3-yl)quinoxaline
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Structure
Formula
C19H14ClN3
Molecular Weight
319.795
Canonical SMILES
Clc1nc2ccccc2nc1-c1cn(CC=C)c2ccccc12
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InChI
InChI=1S/C19H14ClN3/c1-2-11-23-12-14(13-7-3-6-10-17(13)23)18-19(20)22-16-9-5-4-8-15(16)21-18/h2-10,12H,1,11H2
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InChIKey
XKMGPNGFOYHLEF-UHFFFAOYSA-N
Physicochemical Property
logP
5.0909
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 155516764
ChEMBL ID
CHEMBL4443948
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4670 nM
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