COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052853
Chemical Name: 3-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: Cc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1cccc(c1)[O-])\C

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Molecular Weight: 464.51
Empirical Formula: C21H20N8O3S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.512
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 187
Number of rings: 4

     

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