General Information of the Compound
Compound ID
CP0490180
Compound Name
2-(biphenyl-4-yl)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidine]-1'-yl)ethanone
    Show/Hide
Structure
Formula
C27H28N2O3S
Molecular Weight
460.599
Canonical SMILES
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Cc2ccc(cc2)-c2ccccc2)c2ccccc12
    Show/Hide
InChI
InChI=1S/C27H28N2O3S/c1-33(31,32)29-20-27(24-9-5-6-10-25(24)29)15-17-28(18-16-27)26(30)19-21-11-13-23(14-12-21)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
    Show/Hide
InChIKey
QADRXFUXEFLZSQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2361
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
57.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 44573656
ChEMBL ID
CHEMBL492393
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 = 180 nM
   TI
   LI
   LO
   TS