COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201375
Chemical Name: (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: COc1cc(/C=C(\C(=O)O)/Sc2nnc([nH]2)C)cc(c1O)Cl

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Molecular Weight: 341.77
Empirical Formula: C13H12ClN3O4S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 3.055
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 133
Number of rings: 2

     

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