COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417594
Chemical Name: 2-{(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Smiles: Cc1cc(ccc1n1c(C)cc(c1C)/C=C/c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 411.37
Empirical Formula: C19H17N5O6

Physical State: Dry powder
Available Amount: 182 mg

Lipinsky:
logP: 2.461
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 158
Number of rings: 3

     

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