General Information of the Compound
Compound ID
CP0634457
Compound Name
2'-Fluoro-5-((R)-4-isopropyl-2-oxo-oxazolidin-3-yl)-4'-methyl-biphenyl-3-carboxylic acid ((S)-2-hydroxy-1-methyl-ethyl)-amide
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Structure
Formula
C23H27FN2O4
Molecular Weight
414.477
Canonical SMILES
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OC[C@H]3C(C)C)c2)c(F)c1
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InChI
InChI=1S/C23H27FN2O4/c1-13(2)21-12-30-23(29)26(21)18-9-16(19-6-5-14(3)7-20(19)24)8-17(10-18)22(28)25-15(4)11-27/h5-10,13,15,21,27H,11-12H2,1-4H3,(H,25,28)/t15-,21-/m0/s1
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InChIKey
DRAPDSWDHFUIHZ-BTYIYWSLSA-N
Physicochemical Property
logP
3.89292
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 49847832
SID: 104176081
ChEMBL ID
CHEMBL3718325
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: PT05900, P2X purinoceptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.455 nM
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