COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551778
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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)propanamide
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CS(=O)(=O)CC1O)Cl

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Molecular Weight: 664.09
Empirical Formula: C30H30ClNO12S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.893
Rotatable bonds: 9
H-donors: 3
H-acceptors: 12
PSA: 192
Number of rings: 6

     

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