General Information of the Compound
Compound ID
CP0578836
Compound Name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
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Structure
Formula
C19H24N4O3S
Molecular Weight
388.493
Canonical SMILES
CC(C)n1cc(cn1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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InChI
InChI=1S/C19H24N4O3S/c1-12(2)23-11-15(10-20-23)27(25,26)22-19(24)21-18-16-7-3-5-13(16)9-14-6-4-8-17(14)18/h9-12H,3-8H2,1-2H3,(H2,21,22,24)
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InChIKey
FZMOHJPMOVXUFL-UHFFFAOYSA-N
Physicochemical Property
logP
2.9518
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
93.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 122499857
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 = 86 nM
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