COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561884
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-sulfamoylethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCS(=O)(=O)N

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Molecular Weight: 683.13
Empirical Formula: C30H35ClN2O12S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.975
Rotatable bonds: 11
H-donors: 4
H-acceptors: 12
PSA: 207
Number of rings: 4

     

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