COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562958
Chemical Name: 5-(diethylammonio)-2-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1nnc(s1)SCc1ccc(cc1)C)CC

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Molecular Weight: 501.7
Empirical Formula: C23H27N5O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.835
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 173
Number of rings: 3

     

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