COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552324
Chemical Name: methyl5-[({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}amino)methyl]furan-2-carboxylate
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccc(o1)C(=O)OC

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Molecular Weight: 670.14
Empirical Formula: C33H32ClNO10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.779
Rotatable bonds: 10
H-donors: 2
H-acceptors: 10
PSA: 175
Number of rings: 5

     

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