COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046030
Chemical Name: 3-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl){3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl]-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: CCCCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)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: 300 mg

Lipinsky:
logP: 6.51
Rotatable bonds: 15
H-donors: 2
H-acceptors: 5
PSA: 199
Number of rings: 4

     

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