COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052641
Chemical Name: {[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: C=CCn1c(COc2ccccc2)n[nH+]c1SCC(=O)[O-]

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Molecular Weight: 305.36
Empirical Formula: C14H15N3O3S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 2.782
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 2

     

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