General Information of the Compound
Compound ID
CP0383898
Compound Name
3-Benzenesulfonyl-4-phenyl-furazan 2-oxide
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Structure
Formula
C14H10N2O4S
Molecular Weight
302.311
Canonical SMILES
[O-][n+]1onc(c1S(=O)(=O)c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C14H10N2O4S/c17-16-14(21(18,19)12-9-5-2-6-10-12)13(15-20-16)11-7-3-1-4-8-11/h1-10H
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InChIKey
FQYDHXKSMBPNIX-UHFFFAOYSA-N
Physicochemical Property
logP
1.8078
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
87.11
Hydrogen Bond Donor Count
0
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
CID: 9904482
SID: 14873872
ChEMBL ID
CHEMBL507014
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 64000 nM
   TI
   LI
   LO
   TS