COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567943
Chemical Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-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: COc1cc(CCN2C(=O)N=C(/C(=C/NNc3[nH+]c4c(n3C)c(=O)n(c(=O)n4C)C)/C2=O)[O-])ccc1OC

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Molecular Weight: 526.51
Empirical Formula: C23H26N8O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.69
Rotatable bonds: 6
H-donors: 3
H-acceptors: 7
PSA: 175
Number of rings: 4

     

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