General Information of the Compound
Compound ID
CP0397894
Compound Name
4-fluoro-N-[(2R,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]benzamide
    Show/Hide
Structure
Formula
C22H16F2N2O3
Molecular Weight
394.377
Canonical SMILES
Oc1ccc(cc1)[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C22H16F2N2O3/c23-15-5-1-14(2-6-15)21(28)25-19-20(13-3-11-18(27)12-4-13)26(22(19)29)17-9-7-16(24)8-10-17/h1-12,19-20,27H,(H,25,28)/t19-,20-/m1/s1
    Show/Hide
InChIKey
FYYQJOURPBEUDF-WOJBJXKFSA-N
Physicochemical Property
logP
3.5569
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 118729153
ChEMBL ID
CHEMBL3402514
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: PT04639, NPC1-like intracellular cholesterol transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
IC50 = 54000 nM
   TI
   LI
   LO
   TS