COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552482
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-phenyl-1-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]et
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1n[nH]c(n1)C(C)C)Cc1ccccc1

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Molecular Weight: 745.3
Empirical Formula: C39H41ClN4O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.8
Rotatable bonds: 10
H-donors: 3
H-acceptors: 7
PSA: 178
Number of rings: 6

     

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