General Information of the Compound
Compound ID
CP0218473
Compound Name
1-ethyl-2-oxo-N-(4-phenyldiazenylphenyl)benzo[cd]indole-6-sulfonamide
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Formula
C25H20N4O3S
Molecular Weight
456.527
Canonical SMILES
CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1
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InChI
InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+
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InChIKey
AADSJPKBOIGAAW-CYYJNZCTSA-N
Physicochemical Property
logP
6.0361
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
91.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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
CHEMBL3234247
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 = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6050 nM