General Information of the Compound
Compound ID
CP0476451
Compound Name
4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
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Structure
Formula
C19H13ClN2O3S
Molecular Weight
384.844
Canonical SMILES
Clc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C19H13ClN2O3S/c20-12-5-8-14(9-6-12)26(24,25)22-13-7-10-18-17(11-13)15-3-1-2-4-16(15)19(23)21-18/h1-11,22H,(H,21,23)
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InChIKey
GPBOUZKGKZUBFL-UHFFFAOYSA-N
Physicochemical Property
logP
4.1355
Rotatable Bonds
3
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: 155535800
ChEMBL ID
CHEMBL4472724
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 = 850 nM
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