COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561964
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-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-3-(3,4,5-trimethoxyphenyl)
Smiles: COc1ccc2c(c1)sc(n2)NC(=O)CNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 796.25
Empirical Formula: C38H38ClN3O12S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.852
Rotatable bonds: 11
H-donors: 3
H-acceptors: 12
PSA: 218
Number of rings: 6

     

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