COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK397346
Chemical Name: (2E)-3-(4-nitrophenyl)prop-2-enoicacid-(2E)-N-[3-(morpholin-4-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide(1:1)
Smiles: O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCCCN1CCOCC1.OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 512.52
Empirical Formula: C25H28N4O8

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 170
Number of rings: 3

     

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