General Information of the Compound
Compound ID
CP0439082
Compound Name
2-Nitro-naphtho[2,1-b]furan
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Structure
Formula
C12H7NO3
Molecular Weight
213.192
Canonical SMILES
[O-][N+](=O)c1cc2c(ccc3ccccc23)o1
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InChI
InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H
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InChIKey
HXRMBVOCHDEAQH-UHFFFAOYSA-N
CAS
69267-51-2
Physicochemical Property
logP
3.4942
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
56.28
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 50354
SID: 15439067
ChEMBL ID
CHEMBL7174
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 = 2090 nM
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