COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561915
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-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1scc(n1)c1ccccc1

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Molecular Weight: 763.26
Empirical Formula: C39H39ClN2O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.121
Rotatable bonds: 11
H-donors: 2
H-acceptors: 10
PSA: 179
Number of rings: 6

     

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