General Information of the Compound
Compound ID
CP0861126
Compound Name
(R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-5-(4-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)oxazolidine-2,4-dione
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Structure
Formula
C26H19F4N3O3
Molecular Weight
497.448
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(C(F)(F)F)cccc3[nH]2)C1=O
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InChI
InChI=1S/C26H19F4N3O3/c1-15(17-10-12-18(27)13-11-17)33-23(34)25(36-24(33)35,14-16-6-3-2-4-7-16)22-31-20-9-5-8-19(21(20)32-22)26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1
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InChIKey
YMSBLKRFESLWHG-SGANQWHYSA-N
Physicochemical Property
logP
5.8988
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
75.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
36

"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).

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PubChem ID
CID: 122178366
ChEMBL ID
CHEMBL3578293
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 = 150 nM
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