COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047543
Chemical Name: 5-(diethylammonio)-2-[(E)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1)CC

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Molecular Weight: 500.62
Empirical Formula: C27H28N6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.235
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 124
Number of rings: 4

     

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