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Ligand

NameCHEMBL474761
Molecular formulaC36H42FN7O2
IUPAC name(7S)-11-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(2-piperidin-1-ylethylamino)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one
Molecular weight623.777
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.6
SynonymsN/A
Inchi KeyZFTADCMVGYHBIM-XIFFEERXSA-N
Inchi IDInChI=1S/C36H42FN7O2/c1-24(2)33-35(45)40-30-12-9-27(38-14-17-41-15-4-3-5-16-41)23-29(30)34-39-31-22-25(6-13-32(31)44(33)34)36(46)43-20-18-42(19-21-43)28-10-7-26(37)8-11-28/h6-13,22-24,33,38H,3-5,14-21H2,1-2H3,(H,40,45)/t33-/m0/s1
PubChem CID136036260
ChEMBLCHEMBL474761
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
570573Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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