COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK178990
Chemical Name: (2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])NCc1ccc(cc1)OCC

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Molecular Weight: 542.59
Empirical Formula: C29H30N6O5

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 5.98
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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