General Information of the Compound
Compound ID
CP0639394
Compound Name
2'-Fluoro-5-((R)-4-isopropyl-2-oxo-oxazolidin-3-yl)-4'-methyl-biphenyl-3-carboxylic acid cyclopropylamide
    Show/Hide
Structure
Formula
C23H25FN2O3
Molecular Weight
396.462
Canonical SMILES
Cc1ccc(-c2cc(C(=O)NC3CC3)cc(N3C(=O)OC[C@H]3C(C)C)c2)c(F)c1
    Show/Hide
InChI
InChI=1S/C23H25FN2O3/c1-13(2)21-12-29-23(28)26(21)18-10-15(19-7-4-14(3)8-20(19)24)9-16(11-18)22(27)25-17-5-6-17/h4,7-11,13,17,21H,5-6,12H2,1-3H3,(H,25,27)/t21-/m0/s1
    Show/Hide
InChIKey
QAFMSMLCHQICCA-NRFANRHFSA-N
Physicochemical Property
logP
4.67452
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 49847836
SID: 104176085
ChEMBL ID
CHEMBL3718627
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 = 8.913 nM
   TI
   LI
   LO
   TS