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
SMILES / InChI / InChIKey
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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)
InChI Key YEDOPHDWRSVQOP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[3-[[4-(2-chloro-6-fluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide
Synonyms Click here for help
NiK21273
Database Links Click here for help
GtoPdb PubChem SID 387065582
PubChem CID 24889797
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