General Information of the Compound
Compound ID
CP0388578
Compound Name
3-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
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Structure
Formula
C25H21ClN4O2
Molecular Weight
444.922
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3cccc(Cl)c3)ccc12
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InChI
InChI=1S/C25H21ClN4O2/c1-2-30-21-9-4-3-8-19(21)20-15-18(10-11-22(20)30)27-23(31)12-13-24-28-25(29-32-24)16-6-5-7-17(26)14-16/h3-11,14-15H,2,12-13H2,1H3,(H,27,31)
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InChIKey
SSVOIYOFVZHGAB-UHFFFAOYSA-N
Physicochemical Property
logP
6.0891
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
72.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 25033875
SID: 56384669
ChEMBL ID
CHEMBL499627
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
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 = 410 nM
   TI
   LI
   LO
   TS