COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043602
Chemical Name: 1-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}naphthalen-2-olate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)Cl)SCC(=O)N/N=C/c1c([O-])ccc2c1cccc2

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Molecular Weight: 544.03
Empirical Formula: C28H22ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.025
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 5

     

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