COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050629
Chemical Name: (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NCc1ccc2c(c1)OCO2

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Molecular Weight: 317.3
Empirical Formula: C15H15N3O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 1.543
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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