COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051989
Chemical Name: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccs1)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 267.33
Empirical Formula: C10H9N3O2S2

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 2.844
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 136
Number of rings: 2

     

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