General Information of the Compound
Compound ID
CP0423249
Compound Name
3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(9-ethyl-9H-carbazol-3-yl)propanamide
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Structure
Formula
C25H20ClFN4O2
Molecular Weight
462.912
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3Cl)ccc12
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InChI
InChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
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InChIKey
VXLOUNWARGZFRH-UHFFFAOYSA-N
Physicochemical Property
logP
6.2282
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
72.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 25033876
SID: 56384670
ChEMBL ID
CHEMBL527095
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: PT02190, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 330 nM
   TI
   LI
   LO
   TS
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 = 1200 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02333, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.6 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 1.8 nM
   TI
   LI
   LO
   TS