COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311106
Chemical Name: 4-{[(E)-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1cc(ccc1OCn1nc(c(c1C)[N+](=O)[O-])C)/C=N/n1cnnc1S

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Molecular Weight: 403.42
Empirical Formula: C16H17N7O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.349
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 163
Number of rings: 3

     

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