COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149335
Chemical Name: 4-{(1Z)-1-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N\NC(=O)CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)/C

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Molecular Weight: 514.05
Empirical Formula: C25H28ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.429
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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