COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057525
Chemical Name: 5-{[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-3-(3-methoxyphenyl)-6-oxo-2-thioxo-1,2,3,6-tetr
Smiles: COc1cccc(c1)n1c(=S)[nH]c(=O)c(c1[O-])C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)OC)c1ccc(c(c1)C[NH+]1CCCCC1c1cccnc1)OC

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Molecular Weight: 792.94
Empirical Formula: C41H40N6O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.675
Rotatable bonds: 10
H-donors: 4
H-acceptors: 7
PSA: 217
Number of rings: 7

     

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