COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569803
Chemical Name: 4-{[4-(2-cyanoethyl)piperazin-4-ium-1-yl]carbonothioyl}-2-methoxyphenolate
Smiles: N#CCC[NH+]1CCN(CC1)C(=S)c1ccc(c(c1)OC)[O-]

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Molecular Weight: 305.4
Empirical Formula: C15H19N3O2S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 0.478
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 2

     

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