COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552001
Chemical Name: (2S,6'R)-7-chloro-2'-hydroxy-3'-[1-(4-hydroxy-3-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)propyl]-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)N1CCCCC1

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Molecular Weight: 600.07
Empirical Formula: C31H34ClNO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 131
Number of rings: 5

     

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