COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK419769
Chemical Name: (2E,2'E)-1,1'-(1,4-diazepane-1,4-diyl)bis[3-(3-nitrophenyl)prop-2-en-1-one]
Smiles: O=C(N1CCCN(CC1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 450.45
Empirical Formula: C23H22N4O6

Physical State: Dry powder
Available Amount: 924 mg

Lipinsky:
logP: 3.232
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 132
Number of rings: 3

     

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