COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL177612
Chemical Name: 2-{[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,3-benzodioxol-5-yl)ethanone
Smiles: Brc1ccc(cc1)c1nnc(n1N)SCC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 433.29
Empirical Formula: C17H13BrN4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.181
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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