COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551973
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-{1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-[4-(methylsulfanyl)p
Smiles: COCc1[nH]nc(n1)C(Cc1ccccc1)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC

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Molecular Weight: 747.27
Empirical Formula: C38H39ClN4O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.763
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 187
Number of rings: 6

     

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