COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811775
Chemical Name: methyl2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccc(c(c1)C)OC)O

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Saltdata: 1/3CH3COOH
Molecular Weight: 523.52
Empirical Formula: C25H21N3O8S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.279
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 4

     

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