General Information of the Compound
Compound ID
CP0470864
Compound Name
3-Hexyloxy-4-phenylsulfonylfurazan
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Structure
Formula
C14H18N2O4S
Molecular Weight
310.375
Canonical SMILES
CCCCCCOc1nonc1S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H18N2O4S/c1-2-3-4-8-11-19-13-14(16-20-15-13)21(17,18)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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InChIKey
CAMISMQPACOCDV-UHFFFAOYSA-N
Physicochemical Property
logP
2.8615
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
82.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 46899724
SID: 99353055
ChEMBL ID
CHEMBL1215715
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 = 32200 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 > 100000 nM
   TI
   LI
   LO
   TS