General Information of the Compound
Compound ID
CP0575245
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
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Structure
Formula
C21H16N2O4S
Molecular Weight
392.436
Canonical SMILES
O=c1[nH]c2ccc(NS(=O)(=O)c3ccc4OCCc4c3)cc2c2ccccc12
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InChI
InChI=1S/C21H16N2O4S/c24-21-17-4-2-1-3-16(17)18-12-14(5-7-19(18)22-21)23-28(25,26)15-6-8-20-13(11-15)9-10-27-20/h1-8,11-12,23H,9-10H2,(H,22,24)
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InChIKey
ARABXECKEIOYJC-UHFFFAOYSA-N
Physicochemical Property
logP
3.417
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
88.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155523967
ChEMBL ID
CHEMBL4454414
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 = 13120 nM
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