COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054458
Chemical Name: (5Z)-4,6-dioxo-1-(prop-2-en-1-yl)-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

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Molecular Weight: 418.44
Empirical Formula: C16H18N8O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0.665
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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