COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561703
Chemical Name: 1-{(Z)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}naphthalen-2-olate
Smiles: COc1cc(ccc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C\c1c([O-])ccc2c1cccc2

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Molecular Weight: 539.61
Empirical Formula: C29H25N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.502
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 5

     

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