COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551737
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]-3-(4-hydroxy-3-methoxyphenyl)-N-(2-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}ethyl)pro
Smiles: COc1cc(ccc1O)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(CCc1ccccn1)C

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Molecular Weight: 758.25
Empirical Formula: C36H40ClN3O11S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.319
Rotatable bonds: 15
H-donors: 3
H-acceptors: 11
PSA: 199
Number of rings: 5

     

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