General Information of the Compound
Compound ID
CP0849447
Compound Name
(R)-5-benzyl-5-(5-chloro-1H-benzo[d]imidazol-2-yl)-3-((R)-1-(4-fluorophenyl)ethyl)oxazolidine-2,4-dione
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Structure
Formula
C25H19ClFN3O3
Molecular Weight
463.896
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(Cl)ccc3[nH]2)C1=O
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InChI
InChI=1S/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/m1/s1
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InChIKey
ZTCZDQPROVYAKT-SGANQWHYSA-N
Physicochemical Property
logP
5.5334
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
75.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 71549558
SID: 163548784
ChEMBL ID
CHEMBL3578271
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 = 3100 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 = 3300 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 = 3800 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 = 160 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2 nM
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 = 2400 nM
   TI
   LI
   LO
   TS