General Information of the Compound
Compound ID
CP0507415
Compound Name
N-methyl-N-(1-methylpiperidin-4-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
    Show/Hide
Structure
Formula
C26H29N3O3S
Molecular Weight
463.603
Canonical SMILES
CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C26H29N3O3S/c1-27-15-13-21(14-16-27)28(2)26(30)24-18-29(25-10-6-5-9-23(24)25)33(31,32)22-12-11-19-7-3-4-8-20(19)17-22/h3-12,17,21,24H,13-16,18H2,1-2H3
    Show/Hide
InChIKey
PRFSOMOJBAKDBH-UHFFFAOYSA-N
Physicochemical Property
logP
3.6849
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
60.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 46891004
ChEMBL ID
CHEMBL1085351
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 25.12 nM
   TI
   LI
   LO
   TS