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Ligand

NameCHEMBL245115
Molecular formulaC44H47F6N5O5
IUPAC name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanamide
Molecular weight839.88
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP7.0
SynonymsBDBM50202909
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
Inchi KeyCAIADAUGIYOYFJ-ZOVYIVPUSA-N
Inchi IDInChI=1S/C44H47F6N5O5/c45-43(46,47)32-24-30(25-33(26-32)44(48,49)50)27-51-40(57)36(18-19-38(56)53-22-20-52(21-23-53)34-14-8-3-9-15-34)54-35(17-16-29-10-4-1-5-11-29)39(41(54)58)55-37(28-60-42(55)59)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-17,24-26,34-37,39H,3,8-9,14-15,18-23,27-28H2,(H,51,57)/b17-16+/t35-,36+,37-,39+/m1/s1
PubChem CID44428545
ChEMBLCHEMBL245115
IUPHARN/A
BindingDB50202909
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
37211Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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