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Ligand

NameCID 56673458
Molecular formulaC23H19Cl2F3N4O3
IUPAC nameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
Molecular weight527.325
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsN/A
Inchi KeyBTJFGRNOJXCMMX-NAVMLSPISA-N
Inchi IDInChI=1S/C23H19Cl2F3N4O3/c24-15-8-13(23(26,27)28)9-16(25)19(15)29-21(34)30-6-7-31-18(11-30)20(33)32(22(31)35)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,29,34)/t14-,17+,18?/m1/s1
PubChem CID56673458
ChEMBLCHEMBL1808455
IUPHARN/A
BindingDBN/A
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
32381Smoothened homologQ99835SMOHomo sapiens (Human)787

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