COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246541
Chemical Name: 2-(3,4-dimethoxyphenyl)-1-{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}ethanone
Smiles: COc1ccc(cc1OC)CC(=O)n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1cccs1

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Molecular Weight: 479.52
Empirical Formula: C23H21N5O5S

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 3.893
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 152
Number of rings: 4

     

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