COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551720
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-(cyanomethyl)-3-[4-(methylsulfanyl)phenyl]propanamide
Smiles: N#CCNC(=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: 571.05
Empirical Formula: C28H27ClN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.693
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 160
Number of rings: 4

     

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