COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560741
Chemical Name: 5-(diethylammonio)-2-[(E)-(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(cc2[O-])[NH+](CC)CC)nnc1c1ccccc1

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Molecular Weight: 452.58
Empirical Formula: C23H28N6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.577
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 124
Number of rings: 3

     

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