COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK263844
Chemical Name: N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 489.35
Empirical Formula: C20H17BrN4O4S

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 3.113
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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