General Information of the Compound
Compound ID
CP0852356
Compound Name
(R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-5-(4-(isoxazol-4-yl)-1H-benzo[d]imidazol-2-yl)oxazolidine-2,4-dione
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Structure
Formula
C28H21FN4O4
Molecular Weight
496.498
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cnoc4)cccc3[nH]2)C1=O
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InChI
InChI=1S/C28H21FN4O4/c1-17(19-10-12-21(29)13-11-19)33-26(34)28(37-27(33)35,14-18-6-3-2-4-7-18)25-31-23-9-5-8-22(24(23)32-25)20-15-30-36-16-20/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/m1/s1
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InChIKey
IXDZDBJPHDLWFJ-JYRCXFKTSA-N
Physicochemical Property
logP
5.535
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
101.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
37

"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: 71550386
SID: 163549714
ChEMBL ID
CHEMBL3578296
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 = 800 nM
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