General Information of the Compound
Compound ID
CP0967684
Compound Name
5-((S)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-4'-methyl-biphenyl-3-carboxylic acid (5-methyl-pyrazin-2-ylmethyl)-amide
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Structure
Formula
C26H28N4O3
Molecular Weight
444.535
Canonical SMILES
Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N3C(=O)OC[C@@H]3C(C)C)c2)cc1
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InChI
InChI=1S/C26H28N4O3/c1-16(2)24-15-33-26(32)30(24)23-10-20(19-7-5-17(3)6-8-19)9-21(11-23)25(31)29-14-22-13-27-18(4)12-28-22/h5-13,16,24H,14-15H2,1-4H3,(H,29,31)/t24-/m1/s1
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InChIKey
LZHFVMNPYNSOFI-XMMPIXPASA-N
Physicochemical Property
logP
4.67164
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
84.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 49847705
SID: 104175953
ChEMBL ID
CHEMBL3718097
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 = 1023.29 nM
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