COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044405
Chemical Name: 4-[(E)-(2-{[(1-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: O=C(CSc1[nH+]c2c(n1Cc1ccccc1)cccc2)N/N=C/c1ccc(cc1)C(=O)[O-]

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Molecular Weight: 444.51
Empirical Formula: C24H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.512
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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