COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551871
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-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(4-hydroxy-3-methoxyphen
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccc(c(c1)OC)OC

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Molecular Weight: 764.19
Empirical Formula: C38H38ClN3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 15
H-donors: 3
H-acceptors: 12
PSA: 198
Number of rings: 6

     

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