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Ligand

NameCHEMBL38918
Molecular formulaC20H19ClFNO4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
Molecular weight391.823
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL7169677
BDBM50217210
Inchi KeyXLIIRNOPGJTBJD-ZWKOTPCHSA-N
Inchi IDInChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
PubChem CID9843458
ChEMBLCHEMBL38918
IUPHARN/A
BindingDB50217210
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
3948955-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
3948965-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374

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