SKF 105854   Click here for help

GtoPdb Ligand ID: 518

Synonyms: SK&F 105854 | SK-105854
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 16.38
Molecular weight 298.97
XLogP 3.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCc2c3c(C1)c(Br)oc3ccc2Cl
Isomeric SMILES CN1CCc2c3c(C1)c(Br)oc3ccc2Cl
InChI InChI=1S/C12H11BrClNO/c1-15-5-4-7-9(14)2-3-10-11(7)8(6-15)12(13)16-10/h2-3H,4-6H2,1H3
InChI Key NYGANYRUZQPPGP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-bromo-7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraene
Synonyms Click here for help
SK&F 105854 | SK-105854
Database Links Click here for help
BindingDB Ligand 50030619
ChEMBL Ligand CHEMBL123138
GtoPdb PubChem SID 135651047
PubChem CID 9839317
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