LY233053   Click here for help

GtoPdb Ligand ID: 4243

Synonyms: LY 233053 | LY-233053
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 103.79
Molecular weight 211.11
XLogP 0.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1NCCC(C1)Cc1nnn[nH]1
Isomeric SMILES OC(=O)[C@@H]1NCC[C@@H](C1)Cc1nnn[nH]1
InChI InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1
InChI Key FAAVTENFCLADRE-NTSWFWBYSA-N