General Information of the Compound
Compound ID
CP0271726
Compound Name
azo-sulfonamide, 1c
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Formula
C13H14N4O2S
Molecular Weight
290.348
Canonical SMILES
CNc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C13H14N4O2S/c1-15-10-2-4-11(5-3-10)16-17-12-6-8-13(9-7-12)20(14,18)19/h2-9,15H,1H3,(H2,14,18,19)/b17-16+
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InChIKey
RMLHDMTUTOMVIX-WUKNDPDISA-N
Physicochemical Property
logP
2.7911
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
96.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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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ChEMBL ID
CHEMBL571371
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 = 69.4 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 = 4.9 nM
   TI
   LI
   LO
   TS