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Ligand

NameCHEMBL99341
Molecular formulaC20H18Cl3NO4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3,5-trichlorobenzamide
Molecular weight442.717
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50217178
SCHEMBL7719639
Inchi KeyHWEIFQGXMQNOJP-ZWKOTPCHSA-N
Inchi IDInChI=1S/C20H18Cl3NO4/c1-9(25)10-4-5-15-12(6-10)17(18(26)20(2,3)28-15)24-19(27)13-7-11(21)8-14(22)16(13)23/h4-8,17-18,26H,1-3H3,(H,24,27)/t17-,18+/m0/s1
PubChem CID44330148
ChEMBLCHEMBL99341
IUPHARN/A
BindingDB50217178
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
1254885-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
1254895-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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