General Information of the Compound
Compound ID
CP0951662
Compound Name
3-((R)-4-Methyl-2-oxo-oxazolidin-3-yl)-5-(5-methyl-pyridin-2-yl)-N-(1-pyrazin-2-yl-ethyl)-benzamide
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Structure
Formula
C23H23N5O3
Molecular Weight
417.469
Canonical SMILES
Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(N3C(=O)OC[C@H]3C)c2)nc1
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InChI
InChI=1S/C23H23N5O3/c1-14-4-5-20(26-11-14)17-8-18(10-19(9-17)28-15(2)13-31-23(28)30)22(29)27-16(3)21-12-24-6-7-25-21/h4-12,15-16H,13H2,1-3H3,(H,27,29)/t15-,16?/m1/s1
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InChIKey
IAXRBXSRJDRHLE-AAFJCEBUSA-N
Physicochemical Property
logP
3.68312
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
97.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 49849176
SID: 104177495
ChEMBL ID
CHEMBL3717095
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 = 1000 nM
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