COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052360
Chemical Name: (2E)-3-[3-(benzyloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccc(c1)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 367.43
Empirical Formula: C19H17N3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.659
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 3

     

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