COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044603
Chemical Name: 3-(2,5-dimethoxyphenyl)-5-{[1-(2,5-dimethoxyphenyl)-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-ol
Smiles: COc1ccc(c(c1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1cc(OC)ccc1OC)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC)OC

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Molecular Weight: 775.9
Empirical Formula: C38H41N5O9S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.555
Rotatable bonds: 13
H-donors: 2
H-acceptors: 9
PSA: 236
Number of rings: 6

     

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