General Information of the Compound
Compound ID
CP0882466
Compound Name
SID121282997
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Structure
Formula
C10H5NO4
Molecular Weight
203.153
Canonical SMILES
O=[N+]([O-])c1cc2c(ccc3occc32)o1
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InChI
InChI=1S/C10H5NO4/c12-11(13)10-5-7-6-3-4-14-8(6)1-2-9(7)15-10/h1-5H
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InChIKey
CIZQUNGDZXJWAU-UHFFFAOYSA-N
CAS
69267-54-5
Physicochemical Property
logP
3.0872
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
69.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 332389
ChEMBL ID
CHEMBL2360144
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: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 2490 nM
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