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Ligand

NameBDBM50349278
Molecular formulaC22H20Cl2N4O3
IUPAC nameN-(3,5-dichlorophenyl)-1-hydroxy-3-oxo-2-[(1S,2R)-2-phenylcyclopropyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
Molecular weight459.327
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsN/A
Inchi KeyABMZELKNPTZRRB-MSOLQXFVSA-N
Inchi IDInChI=1S/C22H20Cl2N4O3/c23-14-8-15(24)10-16(9-14)25-21(30)26-6-7-27-19(12-26)20(29)28(22(27)31)18-11-17(18)13-4-2-1-3-5-13/h1-5,8-10,17-18,29H,6-7,11-12H2,(H,25,30)/t17-,18+/m1/s1
PubChem CID91930654
ChEMBLN/A
IUPHARN/A
BindingDB50349278
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
972Smoothened homologQ99835SMOHomo sapiens (Human)787

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