General Information of the Compound
Compound ID
CP0500017
Compound Name
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
    Show/Hide
Structure
Formula
C19H24ClF3N4O3
Molecular Weight
448.873
Canonical SMILES
CN1[C@@H](CN(CCN2CCOCC2)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1
    Show/Hide
InChIKey
UVRHNTQEWNNUFT-HNNXBMFYSA-N
Physicochemical Property
logP
2.0432
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
65.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 52946708
ChEMBL ID
CHEMBL1271655
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 = 25.12 nM
   TI
   LI
   LO
   TS