General Information of the Compound
Compound ID
CP0455551
Compound Name
N-(6-oxo-5H-phenanthridin-2-yl)cyclohexanesulfonamide
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Structure
Formula
C19H20N2O3S
Molecular Weight
356.447
Canonical SMILES
O=c1[nH]c2ccc(NS(=O)(=O)C3CCCCC3)cc2c2ccccc12
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InChI
InChI=1S/C19H20N2O3S/c22-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)20-19)21-25(23,24)14-6-2-1-3-7-14/h4-5,8-12,14,21H,1-3,6-7H2,(H,20,22)
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InChIKey
XSKZAFRRUUOUOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7557
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
79.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 155552070
ChEMBL ID
CHEMBL4569959
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 = 5920 nM
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