General Information of the Compound
Compound ID
CP0278249
Compound Name
4-((4-Hydroxyphenyl)Diazenyl)Benzenesulfonamide
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Formula
C12H11N3O3S
Molecular Weight
277.305
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(O)cc1
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InChI
InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)/b15-14+
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InChIKey
IPPFWRRJWLCWGK-CCEZHUSRSA-N
Physicochemical Property
logP
2.455
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
105.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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
SID: 15344316
ChEMBL ID
CHEMBL379206
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: PT00841, Carbonic anhydrase 12
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01011, Carbonic anhydrase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 6.4 nM
   TI
   LI
   LO
   TS