COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552211
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-[({2-[(2-hydroxyethyl)sulfanyl]ethyl}amino)methylidene]-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: OCCSCCN/C=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

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Molecular Weight: 469.94
Empirical Formula: C21H24ClNO7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.882
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 3

     

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