General Information of the Compound
Compound ID
CP0382312
Compound Name
1-ethyl-2-oxo-N-(3-sulfamoylphenyl)benzo[cd]indole-6-sulfonamide
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Structure
Formula
C19H17N3O5S2
Molecular Weight
431.495
Canonical SMILES
CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
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InChI
InChI=1S/C19H17N3O5S2/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)29(26,27)21-12-5-3-6-13(11-12)28(20,24)25/h3-11,21H,2H2,1H3,(H2,20,24,25)
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InChIKey
FMLZLEXODDALNA-UHFFFAOYSA-N
Physicochemical Property
logP
2.2681
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
126.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 24906350
ChEMBL ID
CHEMBL3234285
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: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 5150 nM
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