General Information of the Compound
Compound ID
CP0208514
Compound Name
2-oxo-N-(4-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
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Structure
Formula
C23H16N2O4S
Molecular Weight
416.458
Canonical SMILES
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
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InChIKey
DWCKWRDXAXHZKY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9986
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 1353440
ChEMBL ID
CHEMBL3234246
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)  2
1
IC50 = 140 nM
   TI
   LI
   LO
   TS
2
IC50 = 150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3090 nM