COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505114
Chemical Name: (2Z)-3-{5-[4-chloro-3-(methoxycarbonyl)phenyl]furan-2-yl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C(/C(=O)O)\Sc1nnc([nH]1)C

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Molecular Weight: 419.85
Empirical Formula: C18H14ClN3O5S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 4.676
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 143
Number of rings: 3

     

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