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Ligand

NameCHEMBL1770556
Molecular formulaC28H30F2N8O2
IUPAC nameN-[(6S,9R)-3-cyclopropyl-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Molecular weight548.599
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDDIHNANOYWTHE-DYESRHJHSA-N
N-((6S,9R)-3-cyclopropyl-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
N-[(6S,9R)-3-Cyclopropyl-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
BDBM50342611
SCHEMBL2524859
Inchi KeyBDDIHNANOYWTHE-DYESRHJHSA-N
Inchi IDInChI=1S/C28H30F2N8O2/c29-20-4-1-3-19(23(20)30)17-8-9-21(26-35-34-25(16-6-7-16)37(26)15-17)32-27(39)36-13-10-18(11-14-36)38-22-5-2-12-31-24(22)33-28(38)40/h1-5,12,16-18,21H,6-11,13-15H2,(H,32,39)(H,31,33,40)/t17-,21-/m1/s1
PubChem CID54582783
ChEMBLCHEMBL1770556
IUPHARN/A
BindingDB50342611
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
20812Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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