General Information of the Compound
Compound ID
CP0575329
Compound Name
(2R,4R)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
    Show/Hide
Structure
Formula
C19H20F2N2O2
Molecular Weight
346.377
Canonical SMILES
NC(=O)[C@H]1C[C@@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1
    Show/Hide
InChI
InChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m1/s1
    Show/Hide
InChIKey
LQAIMOYHJBOUSX-SJLPKXTDSA-N
Physicochemical Property
logP
2.8024
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
55.56
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 166628192
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS