General Information of the Compound
Compound ID
CP0851119
Compound Name
(R)-5-benzyl-5-(5-(2-chloropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)-3-((R)-1-(4-fluorophenyl)ethyl)oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C30H22ClFN4O3
Molecular Weight
540.982
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cccnc4Cl)ccc3[nH]2)C1=O
    Show/Hide
InChI
InChI=1S/C30H22ClFN4O3/c1-18(20-9-12-22(32)13-10-20)36-28(37)30(39-29(36)38,17-19-6-3-2-4-7-19)27-34-24-14-11-21(16-25(24)35-27)23-8-5-15-33-26(23)31/h2-16,18H,17H2,1H3,(H,34,35)/t18-,30-/m1/s1
    Show/Hide
InChIKey
AVWMXQCZCNRWIH-VPTFNQTCSA-N
Physicochemical Property
logP
6.5954
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
88.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
39

"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: 122178364
ChEMBL ID
CHEMBL3578289
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 = 64 nM
   TI
   LI
   LO
   TS