COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053445
Chemical Name: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-5-{[(4-methylpiperazin-4-ium-1-yl)amino]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1)CCN1C(=O)N=C(/C(=C/NN2CC[NH+](CC2)C)/C1=O)[O-]

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Molecular Weight: 387.44
Empirical Formula: C19H25N5O4

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 0.012
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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