COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568032
Chemical Name: (5E)-5-(1-{[2-(4-acetylpiperazin-1-ium-1-yl)ethyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[NH+]2CCN(CC2)C(=O)C)/C)/C1=O)[O-]

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Molecular Weight: 363.42
Empirical Formula: C17H25N5O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: -0.407
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 109
Number of rings: 2

     

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