COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046014
Chemical Name: 1-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}naphthalen-2-olate
Smiles: O=C(CSc1[nH+]nc(n1c1ccc(cc1)Cl)c1ccc(cc1)C)N/N=C/c1c([O-])ccc2c1cccc2

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Molecular Weight: 528.03
Empirical Formula: C28H22ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.319
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 5

     

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