COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246539
Chemical Name: 2-methoxy-1-{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}ethanone
Smiles: COCC(=O)n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1cccs1

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Molecular Weight: 373.39
Empirical Formula: C16H15N5O4S

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 2.221
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 143
Number of rings: 3

     

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