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Ligand

NameMLS000438552
Molecular formulaC21H21F3N2O2
IUPAC name(4R,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
Molecular weight390.406
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsHMS2220A13
(4R,5S,6R)-5-acetyl-6-methyl-1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CCG-260092
NCGC00162489-02
cid_16745554
[ Show all ]
Inchi KeyAHCWZEKNBFRKFE-VMDGZTHMSA-N
Inchi IDInChI=1S/C21H21F3N2O2/c1-13-18(14(2)27)19(16-9-6-10-17(11-16)21(22,23)24)25-20(28)26(13)12-15-7-4-3-5-8-15/h3-11,13,18-19H,12H2,1-2H3,(H,25,28)/t13-,18+,19+/m1/s1
PubChem CID16745554
ChEMBLCHEMBL1369646
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463541Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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