COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094389
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 381.39
Empirical Formula: C20H19N3O5

Physical State: Dry powder
Available Amount: 697 mg

Lipinsky:
logP: 3.509
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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