COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819972
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 559.56
Empirical Formula: C28H21N3O8S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.479
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 172
Number of rings: 6

     

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