General Information of the Compound
Compound ID
CP0475556
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)propane-1-sulfonamide
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Structure
Formula
C16H16N2O3S
Molecular Weight
316.382
Canonical SMILES
CCCS(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C16H16N2O3S/c1-2-9-22(20,21)18-11-7-8-15-14(10-11)12-5-3-4-6-13(12)16(19)17-15/h3-8,10,18H,2,9H2,1H3,(H,17,19)
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InChIKey
FXBJMKIGTZIHCU-UHFFFAOYSA-N
Physicochemical Property
logP
2.833
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
79.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 155550685
ChEMBL ID
CHEMBL4569139
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 = 6710 nM
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