General Information of the Compound
Compound ID
CP0850447
Compound Name
(R)-5-(1H-benzo[d]imidazol-2-yl)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C25H20FN3O3
Molecular Weight
429.451
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccccc3[nH]2)C1=O
    Show/Hide
InChI
InChI=1S/C25H20FN3O3/c1-16(18-11-13-19(26)14-12-18)29-23(30)25(32-24(29)31,15-17-7-3-2-4-8-17)22-27-20-9-5-6-10-21(20)28-22/h2-14,16H,15H2,1H3,(H,27,28)/t16-,25-/m1/s1
    Show/Hide
InChIKey
QSDWWLCEDWKTOT-PUAOIOHZSA-N
Physicochemical Property
logP
4.88
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
75.29
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71549691
SID: 163548943
ChEMBL ID
CHEMBL3578272
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: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS