COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564819
Chemical Name: 1-(3-chlorophenyl)-5-{[1-(3-chlorophenyl)-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)c1cccc(c1)Cl)S)c1c(=O)nc(n(c1O)c1cccc(c1)Cl)[S-]

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Molecular Weight: 710.66
Empirical Formula: C33H29Cl2N5O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.42
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 6

     

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