COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561629
Chemical Name: 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-{[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3,4,5-trimethoxyphenyl)
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CCC(=O)N1

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Molecular Weight: 741.15
Empirical Formula: C35H37ClN4O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.06
Rotatable bonds: 11
H-donors: 3
H-acceptors: 12
PSA: 206
Number of rings: 6

     

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