milameline   Click here for help

GtoPdb Ligand ID: 301

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 2
Topological polar surface area 24.83
Molecular weight 154.11
XLogP 0.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CON=CC1=CCCN(C1)C
Isomeric SMILES CO/N=C/C1=CCCN(C1)C
InChI InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+
InChI Key YMMXHEYLRHNXAB-RMKNXTFCSA-N
References
1. Wood MD, Murkitt KL, Ho M, Watson JM, Brown F, Hunter AJ, Middlemiss DN. (1999)
Functional comparison of muscarinic partial agonists at muscarinic receptor subtypes hM1, hM2, hM3, hM4 and hM5 using microphysiometry.
Br J Pharmacol, 126 (7): 1620-4. [PMID:10323594]