COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053495
Chemical Name: (2E)-3-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(cc1Cl)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 325.78
Empirical Formula: C13H12ClN3O3S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.529
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 2

     

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