General Information of the Compound
Compound ID
CP0401918
Compound Name
indenylsulfonamide, 28
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Structure
Formula
C19H19ClN4O2S2
Molecular Weight
434.974
Canonical SMILES
CN1CCC(C1)C1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
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InChI
InChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3
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InChIKey
WWOYOTWDYWUFHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7412
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
66.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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).

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PubChem ID
CID: 16718922
SID: 26673002
ChEMBL ID
CHEMBL575310
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
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 1580 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3 nM
   TI
   LI
   LO
   TS