General Information of the Compound
Compound ID
CP0851113
Compound Name
N-(2-((R)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)-2,4-dioxooxazolidin-5-yl)-1H-benzo[d]imidazol-4-yl)acetamide
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Structure
Formula
C27H23FN4O4
Molecular Weight
486.503
Canonical SMILES
CC(=O)Nc1cccc2[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)nc12
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InChI
InChI=1S/C27H23FN4O4/c1-16(19-11-13-20(28)14-12-19)32-25(34)27(36-26(32)35,15-18-7-4-3-5-8-18)24-30-22-10-6-9-21(23(22)31-24)29-17(2)33/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/m1/s1
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InChIKey
WIQIUVJQEPDJLS-CHAGWJKLSA-N
Physicochemical Property
logP
4.8384
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
104.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 122178367
ChEMBL ID
CHEMBL3578294
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 = 1100 nM
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