General Information of the Compound
Compound ID
CP0538043
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)naphthalene-2-sulfonamide
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Structure
Formula
C23H16N2O3S
Molecular Weight
400.459
Canonical SMILES
O=c1[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c2ccccc12
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InChI
InChI=1S/C23H16N2O3S/c26-23-20-8-4-3-7-19(20)21-14-17(10-12-22(21)24-23)25-29(27,28)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,25H,(H,24,26)
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InChIKey
AHDIDBJAIJEMNR-UHFFFAOYSA-N
Physicochemical Property
logP
4.6353
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
79.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 155530732
ChEMBL ID
CHEMBL4465001
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 = 7230 nM
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