COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039557
Chemical Name: 5-{[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(3-methoxyphenyl)-6-oxo-2-sulfanyl-3,6-dihyd
Smiles: COc1cccc(c1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1cccc(c1)OC)S)c1ccc(c(c1)C[NH+]1CCN(CC1)c1ccccc1OC)OC

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Molecular Weight: 822.96
Empirical Formula: C42H42N6O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.186
Rotatable bonds: 12
H-donors: 2
H-acceptors: 8
PSA: 230
Number of rings: 7

     

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