COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048584
Chemical Name: (5Z)-1-(3-chlorophenyl)-2,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[O-]

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Molecular Weight: 472.85
Empirical Formula: C19H17ClN8O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.108
Rotatable bonds: 1
H-donors: 3
H-acceptors: 5
PSA: 156
Number of rings: 4

     

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