COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565801
Chemical Name: 2-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccc(c2[O-])CC=C)[nH+]nc1c1ccc(cc1)Cl

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Molecular Weight: 548.07
Empirical Formula: C28H26ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.262
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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