COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551921
Chemical Name: (2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[4-(methylsulfonyl)piperazin-1-yl]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CCN(CC1)S(=O)(=O)C)Cl

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Molecular Weight: 484.96
Empirical Formula: C21H25ClN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.233
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 110
Number of rings: 4

     

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