COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551776
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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-(methylsulfonyl)piperidin-4-yl]propanamide
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CCN(CC1)S(=O)(=O)C)Cl

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Molecular Weight: 691.16
Empirical Formula: C32H35ClN2O11S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.694
Rotatable bonds: 8
H-donors: 2
H-acceptors: 11
PSA: 175
Number of rings: 6

     

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