COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562045
Chemical Name: 3-[(2S,6'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl]-N-[(3R,4S)-4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl]-3-(3,4,5-trimethoxyphenyl)p
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1O

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Molecular Weight: 710.16
Empirical Formula: C32H36ClNO13S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.353
Rotatable bonds: 8
H-donors: 3
H-acceptors: 13
PSA: 201
Number of rings: 5

     

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