General Information of the Compound
Compound ID
CP0265280
Compound Name
2-Nitro-naphtho[2,1-b]furan-7-ol
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Structure
Formula
C12H7NO4
Molecular Weight
229.191
Canonical SMILES
Oc1ccc2c3cc(oc3ccc2c1)[N+]([O-])=O
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InChI
InChI=1S/C12H7NO4/c14-8-2-3-9-7(5-8)1-4-11-10(9)6-12(17-11)13(15)16/h1-6,14H
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InChIKey
ILEWGACZMVZKTJ-UHFFFAOYSA-N
CAS
86539-63-1
Physicochemical Property
logP
3.1998
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
76.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 55507
SID: 87238785
ChEMBL ID
CHEMBL7258
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: PT03199, Hepatocyte nuclear factor 4-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000199 Hep-G2/C3A Homo sapiens (Human)  1
1
EC50 = 1950 nM
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   LI
   LO
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