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Ligand

NameCHEMBL1813101
Molecular formulaC22H19Cl2FN4O3
IUPAC name(8aS)-N-(2,6-dichloro-4-fluorophenyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
Molecular weight477.317
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL18628494
Inchi KeyCEQYKGMKRAILAB-JLSDUUJJSA-N
Inchi IDInChI=1S/C22H19Cl2FN4O3/c23-15-8-13(25)9-16(24)19(15)26-21(31)27-6-7-28-18(11-27)20(30)29(22(28)32)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,26,31)/t14-,17+,18+/m1/s1
PubChem CID56669674
ChEMBLCHEMBL1813101
IUPHARN/A
BindingDBN/A
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
40169Smoothened homologQ99835SMOHomo sapiens (Human)787

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