COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148079
Chemical Name: 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Smiles: CC/C(=N\NC(=O)CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)/c1ccc(cc1)[O-]

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Molecular Weight: 498.05
Empirical Formula: C25H28ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.006
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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