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Ligand

NameCHEMBL389724
Molecular formulaC27H26F6N4O2
IUPAC name(8S)-6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(dimethylamino)-8-methyl-4-(2-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,5]oxazocin-5-one
Molecular weight552.521
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP6.3
SynonymsN/A
Inchi KeyARKSJPSURUYLDW-HNNXBMFYSA-N
Inchi IDInChI=1S/C27H26F6N4O2/c1-15-12-37(13-17-9-18(26(28,29)30)11-19(10-17)27(31,32)33)24(38)21-22(20-8-6-5-7-16(20)2)34-25(36(3)4)35-23(21)39-14-15/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1
PubChem CID44424129
ChEMBLCHEMBL389724
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
12554Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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