COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551857
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-[4-(methylsulfanyl)phen
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC

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Molecular Weight: 736.31
Empirical Formula: C37H38ClN3O7S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.782
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 190
Number of rings: 6

     

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