COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK390111
Chemical Name: (2E)-1-{4-[3-(morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 467.48
Empirical Formula: C23H25N5O6

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 3.729
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 127
Number of rings: 4

     

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