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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL1788128
Molecular formulaC25H30ClFN4S
IUPAC name1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-diazinane-2-thione
Molecular weight473.051
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsSCHEMBL9190962
CHEMBL92240
BDBM50368668
L007275
Inchi KeyADJUKJVEVGOWPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30ClFN4S/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32/h2-7,16,22,24H,1,8-15,17H2,(H,28,32)
PubChem CID19037250
ChEMBLN/A
IUPHARN/A
BindingDB50368668
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
2371D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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