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Ligand

NameCHEMBL2431247
Molecular formulaC31H31F2N5O3
IUPAC name2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
Molecular weight559.618
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL6343352
BDBM50440790
Inchi KeyBPUXOOPSWYLWIN-IOWSJCHKSA-N
Inchi IDInChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1
PubChem CID50939608
ChEMBLCHEMBL2431247
IUPHARN/A
BindingDB50440790
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29928Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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