COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148397
Chemical Name: 5-{[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-3-(4-methoxyphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: COc1ccc(cc1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1ccc(cc1)OC)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC

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Molecular Weight: 715.85
Empirical Formula: C36H37N5O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.624
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 218
Number of rings: 6

     

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