COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551707
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]-N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]pr
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(=O)c(=O)[nH]c2c1cccc2

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Molecular Weight: 720.2
Empirical Formula: C36H34ClN3O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.645
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 185
Number of rings: 6

     

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