Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-chloro-N-[[3-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[(7R)-7-[(3S,8S,9S,10R,13R,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]octoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-4-yl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
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Canonical SMILES
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl
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Compound Formula C84H127ClN6O16S
Compound Structure
Protein Name
 Protein Info 
Protein smoothened
Protein Classification
Membrane receptor
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Frizzled family G protein-coupled receptor
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Smoothened receptor (frizzled family GPCR)
Uniprot ID
P56726
Gene Name
SMO
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
EC50 = 200 nM
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