COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355544
Chemical Name: (2E)-3-(4-chloro-3-nitrophenyl)-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-])/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 499.95
Empirical Formula: C24H26ClN5O5

Physical State: Dry powder
Available Amount: 542 mg

Lipinsky:
logP: 5.667
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 118
Number of rings: 4

     

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