COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057557
Chemical Name: (5Z)-2,6-dioxo-5-(1-{[2-(piperazin-1-ium-1-yl)ethyl]amino}ethylidene)-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(/NCC[NH+]2CCNCC2)\C)/C1=O)[O-]

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Molecular Weight: 321.38
Empirical Formula: C15H23N5O3

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: -0.205
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 101
Number of rings: 2

     

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