COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551620
Chemical Name: 3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-[4-(methylsulfanyl)phenyl]propanamide
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)C(=C1O)C(c1ccc(cc1)SC)CC(=O)NC1CS(=O)(=O)CC1O)Cl

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Molecular Weight: 666.17
Empirical Formula: C30H32ClNO10S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.517
Rotatable bonds: 8
H-donors: 3
H-acceptors: 10
PSA: 199
Number of rings: 5

     

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