COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK208759
Chemical Name: 3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-chromen-2-one
Smiles: O=C(c1cc2ccccc2oc1=O)Cn1nc(nc1Br)[N+](=O)[O-]

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Molecular Weight: 379.13
Empirical Formula: C13H7BrN4O5

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 2.633
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 119
Number of rings: 3

     

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