COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569585
Chemical Name: (2Z)-3-[4-(benzyloxy)-3-bromophenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccc(c(c1)Br)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 446.32
Empirical Formula: C19H16BrN3O3S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 5.262
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 3

     

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