COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565416
Chemical Name: 1-(4-chlorophenyl)-5-{[1-(4-chlorophenyl)-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl][4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)[S-]

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Molecular Weight: 726.66
Empirical Formula: C33H29Cl2N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.97
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 163
Number of rings: 6

     

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