General Information of the Compound
Compound ID
CP0424721
Compound Name
(R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
    Show/Hide
Structure
Formula
C19H15F7N2O2
Molecular Weight
436.327
Canonical SMILES
Fc1ccc(cc1)[C@]1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CNC(=O)N1
    Show/Hide
InChI
InChI=1S/C19H15F7N2O2/c20-15-3-1-12(2-4-15)17(9-27-16(29)28-17)10-30-8-11-5-13(18(21,22)23)7-14(6-11)19(24,25)26/h1-7H,8-10H2,(H2,27,28,29)/t17-/m1/s1
    Show/Hide
InChIKey
OEVUUUYSUGCHHG-QGZVFWFLSA-N
Physicochemical Property
logP
4.5882
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 44408062
ChEMBL ID
CHEMBL381151
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS