COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041393
Chemical Name: (5E)-4,6-dioxo-1-(prop-2-en-1-yl)-5-({[4-(pyridinium-4-ylmethyl)phenyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C\Nc2ccc(cc2)Cc2cc[nH+]cc2)/C1=O)[S-]

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Molecular Weight: 378.45
Empirical Formula: C20H18N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.212
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 75
Number of rings: 3

     

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