VU0359516   Click here for help

GtoPdb Ligand ID: 6230

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 2
Rotatable bonds 3
Topological polar surface area 83.81
Molecular weight 295.1
XLogP 1.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1
Isomeric SMILES O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1
InChI InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)/b19-14-
InChI Key NAPZSTOOVHXHKA-RGEXLXHISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6E)-6-(hydroxyimino)-N-(pyridin-2-yl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 178102851
PubChem CID 73755197
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