COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552413
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-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[4-(methylsulfanyl)phenyl
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccc(c(c1)OC)OC

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Molecular Weight: 750.23
Empirical Formula: C37H36ClN3O10S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.658
Rotatable bonds: 11
H-donors: 2
H-acceptors: 10
PSA: 193
Number of rings: 6

     

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