General Information of the Compound
Compound ID
CP0492688
Compound Name
N-(4-acetylphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
    Show/Hide
Structure
Formula
C21H24N4O4S
Molecular Weight
428.514
Canonical SMILES
CC(=O)c1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(N)(=O)=O)CC2)cc1
    Show/Hide
InChI
InChI=1S/C21H24N4O4S/c1-15(26)16-6-8-17(9-7-16)23-20(27)24-12-10-21(11-13-24)14-25(30(22,28)29)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,23,27)(H2,22,28,29)
    Show/Hide
InChIKey
RKSWGMMYQRETIN-UHFFFAOYSA-N
Physicochemical Property
logP
2.4784
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
112.81
Hydrogen Bond Donor Count
2
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: 18004891
ChEMBL ID
CHEMBL524029
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 = 2 nM
   TI
   LI
   LO
   TS