COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK146556
Chemical Name: [4-(4-nitrobenzyl)piperazin-1-yl](thiophen-2-yl)methanone
Smiles: [O-][N+](=O)c1ccc(cc1)CN1CCN(CC1)C(=O)c1cccs1

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Saltdata: C2H2O4
Molecular Weight: 331.4
Empirical Formula: C16H17N3O3S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 1.936
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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