General Information of the Compound
Compound ID
CP0849449
Compound Name
(R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-5-(5-morpholino-1H-benzo[d]imidazol-2-yl)oxazolidine-2,4-dione
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Structure
Formula
C29H27FN4O4
Molecular Weight
514.557
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(N4CCOCC4)ccc3[nH]2)C1=O
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InChI
InChI=1S/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/m1/s1
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InChIKey
IRAXFIAWXJVVGU-SONOPUAISA-N
Physicochemical Property
logP
4.7166
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
87.76
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: 71549829
SID: 163549102
ChEMBL ID
CHEMBL3578285
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7700 nM
   TI
   LI
   LO
   TS
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS
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 = 40 nM
   TI
   LI
   LO
   TS
Protein ID: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS