COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047329
Chemical Name: 1-(4-fluorophenyl)-5-{[1-(4-fluorophenyl)-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)F)c1c(O)nc(n(c1=O)c1ccc(cc1)F)[S-]

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Molecular Weight: 677.75
Empirical Formula: C33H29F2N5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.898
Rotatable bonds: 9
H-donors: 4
H-acceptors: 5
PSA: 154
Number of rings: 6

     

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