COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551781
Chemical Name: N~3~-{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]propanoyl}-N-1,3-thiazol-2-yl-beta-alaninamide
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1nccs1

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Molecular Weight: 686.21
Empirical Formula: C32H32ClN3O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 206
Number of rings: 5

     

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