General Information of the Compound
Compound ID
CP0576188
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)butane-1-sulfonamide
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Structure
Formula
C17H18N2O3S
Molecular Weight
330.409
Canonical SMILES
CCCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C17H18N2O3S/c1-2-3-10-23(21,22)19-12-8-9-16-15(11-12)13-6-4-5-7-14(13)17(20)18-16/h4-9,11,19H,2-3,10H2,1H3,(H,18,20)
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InChIKey
YSFZNQFZRZMTHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.2231
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
79.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 155510879
ChEMBL ID
CHEMBL4435147
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 = 5540 nM
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