COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050093
Chemical Name: (5E)-5-{[(2-ammoniophenyl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: [S-]C1=NC(=O)/C(=C\Nc2ccccc2[NH3+])/C(=O)N1CCC1=CCCCC1

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Molecular Weight: 370.48
Empirical Formula: C19H22N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.817
Rotatable bonds: 3
H-donors: 4
H-acceptors: 2
PSA: 89
Number of rings: 3

     

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