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Ligand

NameCHEMBL302029
Molecular formulaC35H39FN4O5
IUPAC name1-[1-[5-fluoro-2-methoxy-4-[1-(5,6,7,8-tetrahydroquinolin-5-yl)piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight614.718
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.8
Synonyms1-(1-{5-Fluoro-2-methoxy-4-[1-(5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
BDBM50064713
Inchi KeyADMOZSRFKYYPSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H39FN4O5/c1-43-32-21-33(45-25-13-18-38(19-14-25)31-10-4-8-29-26(31)7-5-15-37-29)28(36)20-27(32)34(41)39-16-11-24(12-17-39)40-30-9-3-2-6-23(30)22-44-35(40)42/h2-3,5-7,9,15,20-21,24-25,31H,4,8,10-14,16-19,22H2,1H3
PubChem CID10722476
ChEMBLCHEMBL302029
IUPHARN/A
BindingDB50064713
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2420Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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