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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

NameSCHEMBL2767740
Molecular formulaC24H26FN5O
IUPAC name2-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine-5-carboxamide
Molecular weight419.504
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.6
SynonymsCHEMBL2364289
Inchi KeyIEIZSNCEZBWELX-KRWDZBQOSA-N
Inchi IDInChI=1S/C24H26FN5O/c1-17-15-30(12-11-26-17)16-18-3-9-22(10-4-18)29(2)24(31)20-13-27-23(28-14-20)19-5-7-21(25)8-6-19/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1
PubChem CID23728582
ChEMBLCHEMBL2364289
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
131175Motilin receptorO43193MLNRHomo sapiens (Human)412

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