COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551689
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-(methylsulfanyl)phenyl]-N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}propanami
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1csc(n1)c1cccnc1

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Molecular Weight: 720.27
Empirical Formula: C36H34ClN3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.337
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 190
Number of rings: 6

     

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