General Information of the Compound
Compound ID
CP0851120
Compound Name
(R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-5-(5-(pyrimidin-5-yl)-1H-benzo[d]imidazol-2-yl)oxazolidine-2,4-dione
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Structure
Formula
C29H22FN5O3
Molecular Weight
507.525
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cncnc4)ccc3[nH]2)C1=O
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InChI
InChI=1S/C29H22FN5O3/c1-18(20-7-10-23(30)11-8-20)35-27(36)29(38-28(35)37,14-19-5-3-2-4-6-19)26-33-24-12-9-21(13-25(24)34-26)22-15-31-17-32-16-22/h2-13,15-18H,14H2,1H3,(H,33,34)/t18-,29-/m1/s1
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InChIKey
BSUOAUQMXRRLKR-LDLUVENISA-N
Physicochemical Property
logP
5.337
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
101.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
38

"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: 71550110
SID: 163549417
ChEMBL ID
CHEMBL3578290
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 = 30 nM
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