COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042655
Chemical Name: (5E)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC[NH+](CC1)Cc1ccccc1)CCC1=CCCCC1

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Molecular Weight: 452.62
Empirical Formula: C25H32N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.45
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 4

     

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