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Ligand

NameCHEMBL1770723
Molecular formulaC28H30F2N6O4
IUPAC nameN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
Molecular weight552.583
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.7
SynonymsN-((6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2''-oxo-1'',2''-dihydrospiro[piperidine-4,4''-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
SCHEMBL12219765
BDBM50342633
Inchi KeyBONUNHZCNMSCGH-VGOFRKELSA-N
Inchi IDInChI=1S/C28H30F2N6O4/c1-39-16-18-14-32-25-22(8-7-17(15-36(18)25)19-4-2-6-21(29)23(19)30)33-26(37)35-12-9-28(10-13-35)20-5-3-11-31-24(20)34-27(38)40-28/h2-6,11,14,17,22H,7-10,12-13,15-16H2,1H3,(H,33,37)(H,31,34,38)/t17-,22-/m1/s1
PubChem CID54581909
ChEMBLCHEMBL1770723
IUPHARN/A
BindingDB50342633
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
28964Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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