COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819641
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cc(OC)c(c(c2)OC)OC)C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 604.64
Empirical Formula: C31H28N2O9S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.188
Rotatable bonds: 7
H-donors: 1
H-acceptors: 9
PSA: 154
Number of rings: 6

     

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