COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551837
Chemical Name: (3'E)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({3-(methylsulfonyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propyl}amino)methylidene]-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)/C(=C\NC(c2onc(n2)c2ccccn2)CCS(=O)(=O)C)/C1=O)Cl

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Molecular Weight: 631.06
Empirical Formula: C28H27ClN4O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.625
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 185
Number of rings: 5

     

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