General Information of the Compound
Compound ID
CP0278250
Compound Name
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
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Formula
C14H16N4O2S
Molecular Weight
304.375
Canonical SMILES
CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C14H16N4O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3,(H2,15,19,20)/b17-16+
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InChIKey
NZUPTIDAKYYKGC-WUKNDPDISA-N
CAS
2435-64-5
Physicochemical Property
logP
2.8154
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
88.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 14800652
ChEMBL ID
CHEMBL277836
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 = 7.9 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 = 6.6 nM
   TI
   LI
   LO
   TS