COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040496
Chemical Name: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[2-(morpholin-4-ium-4-yl)ethyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NCC[NH+]1CCOCC1)CCC1=CCCCC1

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Molecular Weight: 392.52
Empirical Formula: C19H28N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.186
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 75
Number of rings: 3

     

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