General Information of the Compound
Compound ID
CP0401600
Compound Name
N-(6-cyclohexyloxy-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide
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Structure
Formula
C16H21NO4S
Molecular Weight
323.414
Canonical SMILES
CS(=O)(=O)Nc1cc2CCC(=O)c2cc1OC1CCCCC1
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InChI
InChI=1S/C16H21NO4S/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
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InChIKey
WMOXGDVEJALKKH-UHFFFAOYSA-N
Physicochemical Property
logP
2.8985
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 10639657
SID: 15671008
ChEMBL ID
CHEMBL344959
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: PT00940, Prostaglandin G/H synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS