COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552526
Chemical Name: methyl5-[({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}amino)methyl]furan-2-carboxylate
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1ccc(o1)C(=O)OC)Cl

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Molecular Weight: 668.05
Empirical Formula: C33H30ClNO12

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.155
Rotatable bonds: 11
H-donors: 2
H-acceptors: 12
PSA: 169
Number of rings: 6

     

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