COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551806
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-hydroxy-3-methoxyphenyl)propanamide
Smiles: COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CS(=O)(=O)CC1O

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Molecular Weight: 666.1
Empirical Formula: C30H32ClNO12S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.999
Rotatable bonds: 11
H-donors: 4
H-acceptors: 12
PSA: 203
Number of rings: 5

     

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