COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569081
Chemical Name: (2E)-3-[4-(methoxycarbonyl)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COC(=O)c1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 319.34
Empirical Formula: C14H13N3O4S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 3.006
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 134
Number of rings: 2

     

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