COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052566
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dibromophenolate
Smiles: O=C(c1nnn(c1C(C)C)c1nonc1[NH3+])N/N=C/c1cc(Br)c(c(c1)Br)[O-]

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Molecular Weight: 514.14
Empirical Formula: C15H14Br2N8O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.16
Rotatable bonds: 3
H-donors: 4
H-acceptors: 3
PSA: 161
Number of rings: 3

     

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