COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148306
Chemical Name: 1-(4-chlorophenyl)-5-{[1-(4-chlorophenyl)-2,4-dihydroxy-6-oxo-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCCC1)C(c1c([O-])[nH]c(=O)n(c1=O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O

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Molecular Weight: 678.53
Empirical Formula: C33H29Cl2N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.333
Rotatable bonds: 8
H-donors: 4
H-acceptors: 7
PSA: 159
Number of rings: 6

     

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