COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547004
Chemical Name: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl3-methyl-4-nitrobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN(CC)CC)c2nonc2N)ccc1OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 606.6
Empirical Formula: C27H30N10O7

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.858
Rotatable bonds: 11
H-donors: 3
H-acceptors: 7
PSA: 221
Number of rings: 4

     

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