COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051022
Chemical Name: 3-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
Smiles: CN(C1CCCCC1)Cc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1)[O-]

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Molecular Weight: 439.48
Empirical Formula: C20H25N9O3

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 0.834
Rotatable bonds: 6
H-donors: 4
H-acceptors: 3
PSA: 165
Number of rings: 4

     

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