General Information of the Compound
Compound ID
CP0383903
Compound Name
2-Oxy-4-phenyl-furazan-3-ylamine
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Structure
Formula
C8H7N3O2
Molecular Weight
177.163
Canonical SMILES
Nc1c(no[n+]1[O-])-c1ccccc1
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InChI
InChI=1S/C8H7N3O2/c9-8-7(10-13-11(8)12)6-4-2-1-3-5-6/h1-5H,9H2
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InChIKey
WAYMHLUIMIRXRD-UHFFFAOYSA-N
Physicochemical Property
logP
0.5572
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
78.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 135449697
ChEMBL ID
CHEMBL507873
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 > 100000 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