COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505143
Chemical Name: (2E)-3-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: COc1ccc(cc1Cl)/C=C(\C(=O)O)/Sc1nnc([nH]1)C

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Molecular Weight: 325.78
Empirical Formula: C13H12ClN3O3S

Physical State: Dry powder
Available Amount: 457 mg

Lipinsky:
logP: 3.529
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 2

     

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