General Information of the Compound
Compound ID
CP0959894
Compound Name
N-((S)-2-Hydroxy-1-methyl-ethyl)-3-(5-methyl-pyridin-2-yl)-5-((R)-2-oxo-4-propyl-oxazolidin-3-yl)-benzamide
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Structure
Formula
C22H27N3O4
Molecular Weight
397.475
Canonical SMILES
CCC[C@@H]1COC(=O)N1c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(C)cn2)c1
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InChI
InChI=1S/C22H27N3O4/c1-4-5-18-13-29-22(28)25(18)19-9-16(20-7-6-14(2)11-23-20)8-17(10-19)21(27)24-15(3)12-26/h6-11,15,18,26H,4-5,12-13H2,1-3H3,(H,24,27)/t15-,18+/m0/s1
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InChIKey
PGBDATNCBLGHRK-MAUKXSAKSA-N
Physicochemical Property
logP
3.29292
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
91.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 59627756
ChEMBL ID
CHEMBL3715011
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 = 3801.89 nM
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