General Information of the Compound
Compound ID
CP0060152
Compound Name
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
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Structure
Formula
C18H16ClF2NO3
Molecular Weight
367.779
Canonical SMILES
FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1ccccc1Cl
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InChI
InChI=1S/C18H16ClF2NO3/c19-13-3-1-2-4-14(13)22-17(23)12-7-8-15(25-18(20)21)16(9-12)24-10-11-5-6-11/h1-4,7-9,11,18H,5-6,10H2,(H,22,23)
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InChIKey
FXJNCIZGQFVQLF-UHFFFAOYSA-N
Physicochemical Property
logP
4.9825
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 134131162
ChEMBL ID
CHEMBL3884788
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 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 166 nM