COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562785
Chemical Name: 2-{(E)-[2-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(n1C)c1cccc(c1)Cl

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Molecular Weight: 431.9
Empirical Formula: C19H18ClN5O3S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 5.516
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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