COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552083
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-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(c1cccc(c1)O)O

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Molecular Weight: 668.16
Empirical Formula: C34H34ClNO9S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 5.727
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 176
Number of rings: 5

     

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