General Information of the Compound
Compound ID
CP0388580
Compound Name
N-(9-ethylcarbazol-3-yl)-3-[4-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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Structure
Formula
C26H22FN3O2
Molecular Weight
427.479
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)CCc3nc(co3)-c3ccccc3F)ccc12
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InChI
InChI=1S/C26H22FN3O2/c1-2-30-23-10-6-4-7-18(23)20-15-17(11-12-24(20)30)28-25(31)13-14-26-29-22(16-32-26)19-8-3-5-9-21(19)27/h3-12,15-16H,2,13-14H2,1H3,(H,28,31)
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InChIKey
QUFMLWDZQZQXLQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.1798
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
60.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 25033813
SID: 56384598
ChEMBL ID
CHEMBL498323
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 = 2000 nM
   TI
   LI
   LO
   TS