COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150065
Chemical Name: 5-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4,6-dihydroxypyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(nc1O)S)c1c(O)nc(nc1O)[S-]

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Molecular Weight: 580.69
Empirical Formula: C27H28N6O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -3.49
Rotatable bonds: 10
H-donors: 5
H-acceptors: 5
PSA: 197
Number of rings: 5

     

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