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Ligand

NameCHEMBL317732
Molecular formulaC20H19ClFNO4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-chloro-4-fluorobenzamide
Molecular weight391.823
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50217229
SCHEMBL8341934
Inchi KeyGYBCVZXYBAZGDD-ZWKOTPCHSA-N
Inchi IDInChI=1S/C20H19ClFNO4/c1-10(24)11-4-7-16-14(8-11)17(18(25)20(2,3)27-16)23-19(26)13-6-5-12(22)9-15(13)21/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
PubChem CID44330281
ChEMBLCHEMBL317732
IUPHARN/A
BindingDB50217229
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1080965-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
1080975-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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