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Ligand

NameBDBM50350338
Molecular formulaC25H23ClN6O3
IUPAC nameN-[2-(3-chlorophenyl)pyrazol-3-yl]-1-hydroxy-3-oxo-2-[(1S,2R)-2-phenylcyclopropyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
Molecular weight490.948
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsN/A
Inchi KeyAZAWFDKMUKHFPT-UXHICEINSA-N
Inchi IDInChI=1S/C25H23ClN6O3/c26-17-7-4-8-18(13-17)32-22(9-10-27-32)28-24(34)29-11-12-30-21(15-29)23(33)31(25(30)35)20-14-19(20)16-5-2-1-3-6-16/h1-10,13,19-20,33H,11-12,14-15H2,(H,28,34)/t19-,20+/m1/s1
PubChem CID91930747
ChEMBLN/A
IUPHARN/A
BindingDB50350338
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
17960Smoothened homologQ99835SMOHomo sapiens (Human)787

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