COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002401
Chemical Name: 3-butyl-5-[(3-butyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl){3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl]-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCCCn1c(=S)[nH]c(=O)c(c1[O-])C(c1c(O)[nH]c(=S)n(c1=O)CCCC)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: 5.62
Rotatable bonds: 13
H-donors: 4
H-acceptors: 5
PSA: 185
Number of rings: 4

     

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