COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049108
Chemical Name: 1-benzyl-5-[(3-benzyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl){6-[2-(dimethylammonio)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}methyl]-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: COc1c2OCOc2cc(c1C(c1c(O)[nH]c(=S)n(c1=O)Cc1ccccc1)c1c(O)nc(n(c1=O)Cc1ccccc1)[S-])CC[NH+](C)C

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Molecular Weight: 701.82
Empirical Formula: C35H35N5O7S2

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.892
Rotatable bonds: 11
H-donors: 4
H-acceptors: 7
PSA: 169
Number of rings: 6

     

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