COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558815
Chemical Name: 5-{[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,4-dihydropyrimidin-5-yl](pyridinium-4-yl)methyl}-6-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-4-olate
Smiles: C=CCn1c(S)nc(=O)c(c1O)C(c1c([O-])nc(n(c1=O)CC=C)S)c1cc[nH+]cc1

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Molecular Weight: 457.53
Empirical Formula: C20H19N5O4S2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.107
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 200
Number of rings: 3

     

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