General Information of the Compound
Compound ID
CP0638257
Compound Name
3-(4,4-Dimethyl-2-oxo-oxazolidin-3-yl)-N-(5-methyl-pyrazin-2-ylmethyl)-5-(5-methyl-pyridin-2-yl)-benzamide
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Structure
Formula
C24H25N5O3
Molecular Weight
431.496
Canonical SMILES
Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N3C(=O)OCC3(C)C)c2)nc1
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InChI
InChI=1S/C24H25N5O3/c1-15-5-6-21(27-10-15)17-7-18(22(30)28-13-19-12-25-16(2)11-26-19)9-20(8-17)29-23(31)32-14-24(29,3)4/h5-12H,13-14H2,1-4H3,(H,28,30)
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InChIKey
DLJOHKVDTKLHOU-UHFFFAOYSA-N
Physicochemical Property
logP
3.82064
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
97.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 49847320
SID: 104175559
ChEMBL ID
CHEMBL3717074
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 = 3.548 nM
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