COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958524
Chemical Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrobenzyl)piperazine
Smiles: COc1cc(CN2CCN(CC2)Cc2cccc(c2)[N+](=O)[O-])cc2c1OCO2

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Saltdata: C2H2O4
Molecular Weight: 385.42
Empirical Formula: C20H23N3O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.211
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 79
Number of rings: 4

     

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