COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK338614
Chemical Name: (2Z)-1-(4-benzylpiperazin-1-yl)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)/C=C\c1cccc(c1)Oc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 488.5
Empirical Formula: C26H24N4O6

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 5.373
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 124
Number of rings: 4

     

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