General Information of the Compound
Compound ID
CP0635686
Compound Name
3-((R)-4-Isopropyl-2-oxo-oxazolidin-3-yl)-N-((R)-2-methoxy-1-methyl-ethyl)-5-(5-methyl-pyridin-2-yl)-benzamide
    Show/Hide
Structure
Formula
C23H29N3O4
Molecular Weight
411.502
Canonical SMILES
COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OC[C@H]2C(C)C)c1
    Show/Hide
InChI
InChI=1S/C23H29N3O4/c1-14(2)21-13-30-23(28)26(21)19-9-17(20-7-6-15(3)11-24-20)8-18(10-19)22(27)25-16(4)12-29-5/h6-11,14,16,21H,12-13H2,1-5H3,(H,25,27)/t16-,21+/m1/s1
    Show/Hide
InChIKey
MMVNDZWNOYKPLL-IERDGZPVSA-N
Physicochemical Property
logP
3.80292
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
80.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 59627744
ChEMBL ID
CHEMBL3716841
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 = 5.248 nM
   TI
   LI
   LO
   TS