COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561680
Chemical Name: (E)-N~3~-{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-(3,4,5-trimethoxyphenyl)propanoyl}-N-(4-methyl-1,3-thiazol-2(3H)-ylidene
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)NCCC(=O)/N=c\1/scc([nH]1)C

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Molecular Weight: 744.22
Empirical Formula: C35H38ClN3O11S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.349
Rotatable bonds: 11
H-donors: 3
H-acceptors: 11
PSA: 205
Number of rings: 5

     

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