General Information of the Compound
Compound ID
CP0871085
Compound Name
3-(5-Methyl-pyridin-2-yl)-5-((R)-2-oxo-4-propyl-oxazolidin-3-yl)-N-(1-pyrazin-2-yl-ethyl)-benzamide
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Structure
Formula
C25H27N5O3
Molecular Weight
445.523
Canonical SMILES
CCC[C@@H]1COC(=O)N1c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cn2)c1
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InChI
InChI=1S/C25H27N5O3/c1-4-5-20-15-33-25(32)30(20)21-11-18(22-7-6-16(2)13-28-22)10-19(12-21)24(31)29-17(3)23-14-26-8-9-27-23/h6-14,17,20H,4-5,15H2,1-3H3,(H,29,31)/t17?,20-/m1/s1
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InChIKey
UEVNZQNHRPYYLZ-UUSAFJCLSA-N
Physicochemical Property
logP
4.46332
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
97.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 49847322
SID: 104175561
ChEMBL ID
CHEMBL3716873
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 = 85.11 nM
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