NSC 157449   Click here for help

GtoPdb Ligand ID: 834

Synonyms: SK&F 83589
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 104.5
Molecular weight 273.07
XLogP 2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccccc1
Isomeric SMILES O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccccc1
InChI InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
InChI Key SAUHQYBXEGARCC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2-hydroxy-4-nitrophenyl)-3-phenylurea
Synonyms Click here for help
SK&F 83589
Database Links Click here for help
BindingDB Ligand 50140794
CAS Registry No. 80883-76-7
ChEMBL Ligand CHEMBL280711
GtoPdb PubChem SID 135651056
PubChem CID 3618472
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