General Information of the Compound
Compound ID
CP0443335
Compound Name
2-methyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[isoindoline-1,4'-piperidine]-1'-carboxamide
    Show/Hide
Structure
Formula
C24H23N5O2
Molecular Weight
413.481
Canonical SMILES
CN1C(=O)c2ccccc2C11CCN(CC1)C(=O)Nc1cnc(cn1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C24H23N5O2/c1-28-22(30)18-9-5-6-10-19(18)24(28)11-13-29(14-12-24)23(31)27-21-16-25-20(15-26-21)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,26,27,31)
    Show/Hide
InChIKey
VEOWBVGKYNMUKJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7524
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
78.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44583225
ChEMBL ID
CHEMBL521124
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS