COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514662
Chemical Name: methyl2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Saltdata: 1/4CH3COOH
Molecular Weight: 537.51
Empirical Formula: C25H19N3O9S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 3.819
Rotatable bonds: 6
H-donors: 1
H-acceptors: 9
PSA: 189
Number of rings: 5

     

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