COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045998
Chemical Name: 3-cyclohexyl-5-[(1-cyclohexyl-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: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(=O)nc(n(c1O)C1CCCCC1)S)c1c(=O)nc(n(c1[O-])C1CCCCC1)S

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Molecular Weight: 695.95
Empirical Formula: C36H49N5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.441
Rotatable bonds: 11
H-donors: 2
H-acceptors: 5
PSA: 199
Number of rings: 6

     

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