COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041948
Chemical Name: 2-({(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-N,N,N-trimethylethanaminium
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\NCC[N+](C)(C)C)/C1=O)S

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Saltdata: I-
Molecular Weight: 363.46
Empirical Formula: C17H23N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.229
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 2

     

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