SPP1   Click here for help

GtoPdb Ligand ID: 10259

Synonyms: spiropiperidine 1
Compound class: Synthetic organic
Comment: Functionally selective, brain penetrant partial orthosteric agonist at M1 receptors [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 56.33
Molecular weight 426.26
XLogP 3.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C
Isomeric SMILES Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C
InChI InChI=1S/C24H34N4O3/c1-18-4-3-5-20(16-18)28-17-25(2)22(29)24(28)10-14-26(15-11-24)19-8-12-27(13-9-19)23(30)31-21-6-7-21/h3-5,16,19,21H,6-15,17H2,1-2H3
InChI Key ZZZVRFJGTJAHFM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclopropyl 4-[3-methyl-1-(3-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]piperidine-1-carboxylate
Synonyms Click here for help
spiropiperidine 1
Database Links Click here for help
GtoPdb PubChem SID 381744941
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