General Information of the Compound
Compound ID
CP0559746
Compound Name
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
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Structure
Formula
C20H16N2O4S
Molecular Weight
380.425
Canonical SMILES
COc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C20H16N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)22-13-10-11-17-16(12-13)14-6-2-3-7-15(14)20(23)21-17/h2-12,22H,1H3,(H,21,23)
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InChIKey
JNAFOKWUGWLVKP-UHFFFAOYSA-N
Physicochemical Property
logP
3.4907
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 155569554
ChEMBL ID
CHEMBL4594099
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: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 480 nM
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