Syk inhibitor III   Click here for help

GtoPdb Ligand ID: 6048

Synonyms: NSC 10120 | NSC 105303 | NSC 170724 | SBB007833
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 61.6
Molecular weight 193.04
XLogP 1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)C=Cc1ccc2c(c1)OCO2
Isomeric SMILES [O-][N+](=O)/C=C/c1ccc2c(c1)OCO2
InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
InChI Key KFLWBZPSJQPRDD-ONEGZZNKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[(E)-2-nitroethenyl]-2H-1,3-benzodioxole
Synonyms Click here for help
NSC 10120 | NSC 105303 | NSC 170724 | SBB007833
Database Links Click here for help
CAS Registry No. 1485-00-3
ChEMBL Ligand CHEMBL596380
GtoPdb PubChem SID 178102670
PubChem CID 672296
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Tocris
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Cat. No. 2877