COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049057
Chemical Name: (2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 361.81
Empirical Formula: C16H12ClN3O3S

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 5.004
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 121
Number of rings: 3

     

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