General Information of the Compound
Compound ID
CP0153135
Compound Name
5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
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Structure
Formula
C20H15ClN2O4S
Molecular Weight
414.87
Canonical SMILES
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C20H15ClN2O4S/c1-27-18-9-6-12(21)10-19(18)28(25,26)23-13-7-8-17-16(11-13)14-4-2-3-5-15(14)20(24)22-17/h2-11,23H,1H3,(H,22,24)
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InChIKey
UVOKLEHSNNULRO-UHFFFAOYSA-N
Physicochemical Property
logP
4.1441
Rotatable Bonds
4
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: 155533716
ChEMBL ID
CHEMBL4469223
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 = 240 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 750 nM
   TI
   LI
   LO
   TS
CL000206 PANC-1 Homo sapiens (Human)  1
1
IC50 = 6700 nM
   TI
   LI
   LO
   TS