COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033124
Chemical Name: 5-[(S)-[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](pyridinium-4-yl)methyl]-6-oxo-1-(prop-2-en-1-yl)-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: C=CCn1c(=S)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=S)n(c1=O)CC=C)c1cc[nH+]cc1

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Molecular Weight: 457.53
Empirical Formula: C20H19N5O4S2

Physical State: Dry powder
Available Amount: 485 mg

Lipinsky:
logP: 1.216
Rotatable bonds: 7
H-donors: 4
H-acceptors: 4
PSA: 186
Number of rings: 3

     

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