General Information of the Compound
Compound ID
CP0423236
Compound Name
N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
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Structure
Formula
C25H22N4O2
Molecular Weight
410.477
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccccc3)ccc12
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InChI
InChI=1S/C25H22N4O2/c1-2-29-21-11-7-6-10-19(21)20-16-18(12-13-22(20)29)26-23(30)14-15-24-27-25(28-31-24)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,26,30)
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InChIKey
GXYDSFUDSNMVRH-UHFFFAOYSA-N
Physicochemical Property
logP
5.4357
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
72.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 25033873
SID: 56384667
ChEMBL ID
CHEMBL499877
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 150 nM
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