COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596072
Chemical Name: methyl4-{(3E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 601.66
Empirical Formula: C30H23N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.119
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 181
Number of rings: 6

     

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