COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355532
Chemical Name: (2E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 446.85
Empirical Formula: C20H19ClN4O6

Physical State: Dry powder
Available Amount: 554 mg

Lipinsky:
logP: 4.195
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 124
Number of rings: 3

     

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