COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570250
Chemical Name: methyl4-{(3E)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl

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Molecular Weight: 562.99
Empirical Formula: C28H19ClN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.957
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 143
Number of rings: 6

     

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