COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562549
Chemical Name: 5-{[6-hydroxy-4-oxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,4-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-6-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Smiles: C=CCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)CC=C)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC

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Molecular Weight: 583.73
Empirical Formula: C28H33N5O5S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.157
Rotatable bonds: 13
H-donors: 2
H-acceptors: 5
PSA: 199
Number of rings: 4

     

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