COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK306978
Chemical Name: 4-{[(E)-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/n1cnnc1S

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Molecular Weight: 399.43
Empirical Formula: C18H17N5O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.44
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 146
Number of rings: 3

     

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