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Ligand

NameCarabersat
Molecular formulaC20H20FNO4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-fluorobenzamide
Molecular weight357.381
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
Synonyms(3R,4S)-6-Acetyl-4-(4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran
CHEMBL39933
K9R83652CK
SB-204268
SB-258339
[ Show all ]
Inchi KeyRCLXAPJEFHPYEG-ZWKOTPCHSA-N
Inchi IDInChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
PubChem CID193943
ChEMBLCHEMBL39933
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
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GLASS IDNameUniProtGeneSpeciesLength
2928455-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374

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