[3H]4-DAMP   Click here for help

GtoPdb Ligand ID: 11497

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 26.3
Molecular weight 324.2
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C
Isomeric SMILES O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C
InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
InChI Key HYJRTXSYDAFGJK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
GtoPdb PubChem SID 440816865
PubChem CID 1734
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