COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055086
Chemical Name: (5E)-1-cyclohexyl-4,6-dioxo-5-({[4-(pyridinium-4-ylmethyl)phenyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/Nc1ccc(cc1)Cc1cc[nH+]cc1)C1CCCCC1

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Molecular Weight: 420.54
Empirical Formula: C23H24N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.405
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 75
Number of rings: 4

     

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