General Information of the Compound
Compound ID
CP0437638
Compound Name
(4S)-N-[(2,4-dichlorophenyl)methyl]-2-oxo-3-thiophen-2-yl-1,3-oxazolidine-4-carboxamide
    Show/Hide
Structure
Formula
C15H12Cl2N2O3S
Molecular Weight
371.245
Canonical SMILES
Clc1ccc(CNC(=O)[C@@H]2COC(=O)N2c2cccs2)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C15H12Cl2N2O3S/c16-10-4-3-9(11(17)6-10)7-18-14(20)12-8-22-15(21)19(12)13-2-1-5-23-13/h1-6,12H,7-8H2,(H,18,20)/t12-/m0/s1
    Show/Hide
InChIKey
RBNVMCXNIATHHF-LBPRGKRZSA-N
Physicochemical Property
logP
3.6965
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 156019361
ChEMBL ID
CHEMBL4645488
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: PT01449, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 3168 nM
   TI
   LI
   LO
   TS
2
IC50 = 15126 nM
   TI
   LI
   LO
   TS
3
Ki = 3110 nM
   TI
   LI
   LO
   TS