COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055339
Chemical Name: (5E)-5-{[(2-ammoniophenyl)amino]methylidene}-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\Nc2ccccc2[NH3+])/C1=O)[O-]

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Molecular Weight: 410.43
Empirical Formula: C21H22N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.787
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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