General Information of the Compound
Compound ID
CP0871197
Compound Name
(R)-5-(5-(1H-tetrazol-1-yl)-1H-benzo[d]imidazol-2-yl)-5-benzyl-3-((R)-1-(4-fluorophenyl)ethyl)oxazolidine-2,4-dione
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Structure
Formula
C26H20FN7O3
Molecular Weight
497.49
Canonical SMILES
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-n4cnnn4)ccc3[nH]2)C1=O
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InChI
InChI=1S/C26H20FN7O3/c1-16(18-7-9-19(27)10-8-18)34-24(35)26(37-25(34)36,14-17-5-3-2-4-6-17)23-29-21-12-11-20(13-22(21)30-23)33-15-28-31-32-33/h2-13,15-16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1
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InChIKey
UVLUPJRPXNWMIV-AKJBCIBTSA-N
Physicochemical Property
logP
3.8557
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
118.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 71549694
SID: 163548946
ChEMBL ID
CHEMBL3578280
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 = 120 nM
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