General Information of the Compound
Compound ID
CP0849454
Compound Name
2-((R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-2,4-dioxooxazolidin-5-yl)-1H-benzo[d]imidazole-5-carbonitrile
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Structure
Formula
C26H19FN4O3
Molecular Weight
454.461
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(C#N)ccc3[nH]2)C1=O
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InChI
InChI=1S/C26H19FN4O3/c1-16(19-8-10-20(27)11-9-19)31-24(32)26(34-25(31)33,14-17-5-3-2-4-6-17)23-29-21-12-7-18(15-28)13-22(21)30-23/h2-13,16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1
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InChIKey
SUAOZSXHWHVHPJ-AKJBCIBTSA-N
Physicochemical Property
logP
4.75168
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
99.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 122178359
ChEMBL ID
CHEMBL3578279
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 = 420 nM
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