General Information of the Compound
Compound ID
CP0850845
Compound Name
3-(4,4-Dimethyl-2-oxo-oxazolidin-3-yl)-N-((S)-2-hydroxy-1-methyl-ethyl)-5-(5-methyl-pyridin-2-yl)-benzamide
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Structure
Formula
C21H25N3O4
Molecular Weight
383.448
Canonical SMILES
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OCC3(C)C)c2)nc1
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InChI
InChI=1S/C21H25N3O4/c1-13-5-6-18(22-10-13)15-7-16(19(26)23-14(2)11-25)9-17(8-15)24-20(27)28-12-21(24,3)4/h5-10,14,25H,11-12H2,1-4H3,(H,23,26)/t14-/m0/s1
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InChIKey
PCJNXOPRHGSPBZ-AWEZNQCLSA-N
Physicochemical Property
logP
2.90282
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
91.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 59627754
ChEMBL ID
CHEMBL3715857
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 = 28.18 nM
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