COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551643
Chemical Name: N~2~-{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}-L-isoleucinamide
Smiles: CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC)C

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Molecular Weight: 645.17
Empirical Formula: C32H37ClN2O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.155
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 179
Number of rings: 4

     

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