COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551101
Chemical Name: (2S,6'R)-7-chloro-4'-({2,3-dichloro-4-[(2-hydroxyethyl)sulfanyl]phenyl}amino)-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Smiles: OCCSc1ccc(c(c1Cl)Cl)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC

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Molecular Weight: 558.87
Empirical Formula: C24H22Cl3NO6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.831
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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