COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561886
Chemical Name: (2R,3'E,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-{1-[(2-sulfanylethyl)amino]ethylidene}-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: SCCN/C(=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)/C

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Molecular Weight: 439.92
Empirical Formula: C20H22ClNO6S

Available Amount: 0 mg

Lipinsky:
logP: 4.064
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 3

     

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