COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK973106
Chemical Name: 1-[3-({[5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone
Smiles: C=CCn1c(nnc1c1ccc(cc1)Br)SCc1cc(ccc1OC)C(=O)C

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Molecular Weight: 458.38
Empirical Formula: C21H20BrN3O2S

Available Amount: 0 mg

Lipinsky:
logP: 5.931
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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