General Information of the Compound
Compound ID
CP0575216
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)-1-phenylmethanesulfonamide
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Structure
Formula
C20H16N2O3S
Molecular Weight
364.426
Canonical SMILES
O=c1[nH]c2ccc(NS(=O)(=O)Cc3ccccc3)cc2c2ccccc12
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InChI
InChI=1S/C20H16N2O3S/c23-20-17-9-5-4-8-16(17)18-12-15(10-11-19(18)21-20)22-26(24,25)13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23)
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InChIKey
TWLZBHMHISJIGY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6232
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
79.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 155547500
ChEMBL ID
CHEMBL4533723
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 = 5170 nM
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