COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552013
Chemical Name: 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]-N-{1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propyl}-3-[4-(methylsul
Smiles: CSCCC(c1onc(n1)c1ccco1)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: 754.28
Empirical Formula: C36H36ClN3O9S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.432
Rotatable bonds: 12
H-donors: 2
H-acceptors: 9
PSA: 213
Number of rings: 6

     

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