COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054958
Chemical Name: 2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)-N,N,N-trimethylethanaminium
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[N+](C)(C)C)/C)/C1=O)O

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Saltdata: I-
Molecular Weight: 295.36
Empirical Formula: C14H23N4O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: -3.516
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 82
Number of rings: 1

     

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