COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148856
Chemical Name: (2E)-1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)-3-phenylprop-2-en-1-one
Smiles: CC(c1ccccc1)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccccc1

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Molecular Weight: 456.54
Empirical Formula: C27H28N4O3

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 6.108
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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