COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569931
Chemical Name: (2E)-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 399.43
Empirical Formula: C19H17N3O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.837
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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