MK-499   Click here for help

GtoPdb Ligand ID: 2607

Synonyms: L 706000 | MK 499 | MK499
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 111.04
Molecular weight 467.19
XLogP 2.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc2c(c1)CCC(C2)N1CCC2(CC1)CC(O)c1c(O2)ccc(c1)NS(=O)(=O)C
Isomeric SMILES N#Cc1ccc2c(c1)CC[C@H](C2)N1CCC2(CC1)C[C@@H](O)c1c(O2)ccc(c1)NS(=O)(=O)C
InChI InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1
InChI Key NIYGLRKUBPNXQS-FYYLOGMGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide
Synonyms Click here for help
L 706000 | MK 499 | MK499
Database Links Click here for help
BindingDB Ligand 24064
ChEMBL Ligand CHEMBL477015
GtoPdb PubChem SID 53801034
PubChem CID 9934294
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