SR16835   Click here for help

GtoPdb Ligand ID: 8867

Synonyms: AT-202
Compound class: Synthetic organic
Comment: SR16835 is an experimental NOP receptor agonist, with low-affinity bifunctional activity at the μ opioid receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 23.55
Molecular weight 386.24
XLogP 4.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2
Isomeric SMILES O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2
InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2
InChI Key SZKWDIATUVLAAW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)piperidin-4-yl]-3H-indol-2-one
Synonyms Click here for help
AT-202
Database Links Click here for help
ChEMBL Ligand CHEMBL3262554
GtoPdb PubChem SID 252827524
PubChem CID 49843739
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