COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK121923
Chemical Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
Smiles: [O-][N+](=O)c1cc2OCOc2cc1CN1CCN(CC1)C/C=C/c1ccccc1

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Saltdata: C2H2O4
Molecular Weight: 381.43
Empirical Formula: C21H23N3O4

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 3.149
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 70
Number of rings: 4

     

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