COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041335
Chemical Name: (5Z)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: O=C1N=C([O-])/C(=C/NC2CC[NH+](CC2)Cc2ccccc2)/C(=O)N1CCC1=CCCCC1

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Molecular Weight: 436.55
Empirical Formula: C25H32N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.412
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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