COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551628
Chemical Name: (2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[4-(methylsulfonyl)piperazin-1-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 679.14
Empirical Formula: C31H35ClN2O11S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.974
Rotatable bonds: 9
H-donors: 2
H-acceptors: 11
PSA: 177
Number of rings: 5

     

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