COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565726
Chemical Name: 4-{(E)-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: O=C(CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)C(=O)[O-]

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Molecular Weight: 498.01
Empirical Formula: C24H24ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.696
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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