COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045674
Chemical Name: 2,6-di-tert-butyl-4-[(E)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccccc1)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C

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Molecular Weight: 541.72
Empirical Formula: C31H35N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.085
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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