COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148275
Chemical Name: 1-butyl-5-[(1-butyl-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl){3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl]-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Smiles: CCCCn1c([S-])nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)OC

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Molecular Weight: 643.87
Empirical Formula: C32H45N5O5S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 6.51
Rotatable bonds: 15
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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