General Information of the Compound
Compound ID
CP0578703
Compound Name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(phenylsulfamoyl)acetamide
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Formula
C20H22N2O3S
Molecular Weight
370.474
Canonical SMILES
O=C(CS(=O)(=O)Nc1ccccc1)Nc1c2CCCc2cc2CCCc12
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InChI
InChI=1S/C20H22N2O3S/c23-19(13-26(24,25)22-16-8-2-1-3-9-16)21-20-17-10-4-6-14(17)12-15-7-5-11-18(15)20/h1-3,8-9,12,22H,4-7,10-11,13H2,(H,21,23)
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InChIKey
KSNLDJYJRHNURS-UHFFFAOYSA-N
Physicochemical Property
logP
3.0444
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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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ChEMBL ID
CHEMBL4756014
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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 > 20000 nM
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