NiK-21273   Click here for help

GtoPdb Ligand ID: 10500

Synonyms: NiK21273
Compound class: Synthetic organic
Comment: NiK-21273 is a NOP receptor antagonist [1]. It has demonstrated antiparkinsonian effects in in vivo models.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 80.8
Molecular weight 512.2
XLogP 3.03
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl
Isomeric SMILES NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl
InChI InChI=1S/C27H30ClFN4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand NiK-21273
Other databases
GtoPdb PubChem SID 387065582
PubChem CID 24889797
Search Google for chemical match using the InChIKey YEDOPHDWRSVQOP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YEDOPHDWRSVQOP
UniChem Compound Search for chemical match using the InChIKey YEDOPHDWRSVQOP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YEDOPHDWRSVQOP-UHFFFAOYSA-N