COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551940
Chemical Name: 4-[(N-{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}glycyl)amino]benzamide
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N

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Molecular Weight: 708.19
Empirical Formula: C35H34ClN3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.15
Rotatable bonds: 8
H-donors: 5
H-acceptors: 9
PSA: 208
Number of rings: 5

     

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