General Information of the Compound
Compound ID
CP0848708
Compound Name
N-(2-((R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-2,4-dioxooxazolidin-5-yl)-1H-benzo[d]imidazol-4-yl)methanesulfonamide
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Structure
Formula
C26H23FN4O5S
Molecular Weight
522.558
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(NS(C)(=O)=O)cccc3[nH]2)C1=O
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InChI
InChI=1S/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/m1/s1
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InChIKey
KUPHFXYMPCLWSV-AKJBCIBTSA-N
Physicochemical Property
logP
4.2515
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
121.46
Hydrogen Bond Donor Count
2
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: 71549969
SID: 163549256
ChEMBL ID
CHEMBL3578295
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 = 11000 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 > 20000 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 = 17000 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 = 210 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 = 8200 nM
   TI
   LI
   LO
   TS