COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552448
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-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-hydroxy-3-methoxyphenyl)propana
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(c1ccc(c(c1)O)O)O

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Molecular Weight: 684.1
Empirical Formula: C34H34ClNO12

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.607
Rotatable bonds: 12
H-donors: 6
H-acceptors: 12
PSA: 201
Number of rings: 5

     

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