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Ligand

NameMLS000518625
Molecular formulaC33H30FN3O3
IUPAC name(6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-3-oxo-N-(2-phenylphenyl)-5,8-dihydro-2H-1,4-diazocine-1-carboxamide
Molecular weight535.619
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsHMS2194O14
NCGC00166951-01
KUC101673N
KSC-300-016-1
SMR000465273
[ Show all ]
Inchi KeyAICDQBMYNQZCHJ-GHXNOFRVSA-N
Inchi IDInChI=1S/C33H30FN3O3/c1-40-28-19-15-26(16-20-28)31-12-7-21-36(23-32(38)37(31)22-24-13-17-27(34)18-14-24)33(39)35-30-11-6-5-10-29(30)25-8-3-2-4-9-25/h2-20,31H,21-23H2,1H3,(H,35,39)/b12-7-
PubChem CID16746463
ChEMBLCHEMBL1533863
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6098Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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