COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047147
Chemical Name: 3-(3-fluorophenyl)-5-{[1-(3-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)F)S

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Molecular Weight: 691.78
Empirical Formula: C34H31F2N5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.897
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 199
Number of rings: 6

     

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