General Information of the Compound
Compound ID
CP0639106
Compound Name
2'-Fluoro-5-((R)-4-isopropyl-2-oxo-oxazolidin-3-yl)-4'-methyl-biphenyl-3-carboxylic acid (1-pyrazin-2-yl-ethyl)-amide
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Structure
Formula
C26H27FN4O3
Molecular Weight
462.525
Canonical SMILES
Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(N3C(=O)OC[C@H]3C(C)C)c2)c(F)c1
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InChI
InChI=1S/C26H27FN4O3/c1-15(2)24-14-34-26(33)31(24)20-11-18(21-6-5-16(3)9-22(21)27)10-19(12-20)25(32)30-17(4)23-13-28-7-8-29-23/h5-13,15,17,24H,14H2,1-4H3,(H,30,32)/t17?,24-/m0/s1
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InChIKey
OSQFXHWKOIFZOO-UCSBTNPJSA-N
Physicochemical Property
logP
5.06332
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
84.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 49847833
SID: 104176082
ChEMBL ID
CHEMBL3716119
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 = 12.59 nM
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