General Information of the Compound
Compound ID
CP0437633
Compound Name
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
    Show/Hide
Structure
Formula
C18H16Cl2N2O2
Molecular Weight
363.244
Canonical SMILES
Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccccc2)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C18H16Cl2N2O2/c19-13-7-6-12(15(20)10-13)11-21-18(24)16-8-9-17(23)22(16)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11H2,(H,21,24)/t16-/m0/s1
    Show/Hide
InChIKey
IIFJJYLUONHATJ-INIZCTEOSA-N
Physicochemical Property
logP
3.8052
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 134844786
ChEMBL ID
CHEMBL4644334
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)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS