COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054697
Chemical Name: (5E)-1-cyclopropyl-4,6-dioxo-5-{[(2,2,6,6-tetramethylpiperidinium-4-yl)amino]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC(C)(C)[NH2+]C(C1)(C)C)C1CC1

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Molecular Weight: 350.49
Empirical Formula: C17H26N4O2S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 2.138
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 78
Number of rings: 3

     

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