General Information of the Compound
Compound ID
CP0871084
Compound Name
N-(5-Methyl-pyrazin-2-ylmethyl)-3-(5-methyl-pyridin-2-yl)-5-((R)-2-oxo-4-propyl-oxazolidin-3-yl)-benzamide
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Structure
Formula
C25H27N5O3
Molecular Weight
445.523
Canonical SMILES
CCC[C@@H]1COC(=O)N1c1cc(C(=O)NCc2cnc(C)cn2)cc(-c2ccc(C)cn2)c1
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InChI
InChI=1S/C25H27N5O3/c1-4-5-21-15-33-25(32)30(21)22-9-18(23-7-6-16(2)11-28-23)8-19(10-22)24(31)29-14-20-13-26-17(3)12-27-20/h6-13,21H,4-5,14-15H2,1-3H3,(H,29,31)/t21-/m1/s1
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InChIKey
NLTJQBWTUFYFNP-OAQYLSRUSA-N
Physicochemical Property
logP
4.21074
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: 49847323
SID: 104175562
ChEMBL ID
CHEMBL3716737
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 = 165.96 nM
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