COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552077
Chemical Name: N~2~-{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]propanoyl}-N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyd
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)N[C@H](C(=O)NCc1cc(=O)n(c(=O)n1C)C)C)Cl

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Molecular Weight: 753.16
Empirical Formula: C36H37ClN4O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.263
Rotatable bonds: 11
H-donors: 3
H-acceptors: 12
PSA: 199
Number of rings: 6

     

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