COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124675
Chemical Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
Smiles: [O-][N+](=O)c1cc2OCOc2cc1CN1CCN(CC1)c1cccc(c1C)C

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Saltdata: C2H2O4
Molecular Weight: 369.42
Empirical Formula: C20H23N3O4

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 4.222
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 70
Number of rings: 4

     

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