COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048002
Chemical Name: (5Z)-1-(4-methylphenyl)-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C[NH+]1CCN(CC1)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/C

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Molecular Weight: 357.41
Empirical Formula: C18H23N5O3

Physical State: Dry powder
Available Amount: 292 mg

Lipinsky:
logP: 0.669
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 92
Number of rings: 3

     

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