COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148857
Chemical Name: (2E)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
Smiles: Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccccc1)C

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Molecular Weight: 431.49
Empirical Formula: C24H25N5O3

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 4.748
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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