COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993562
Chemical Name: (3E,5E)-1-methyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one
Smiles: CN1C/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1

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Molecular Weight: 379.37
Empirical Formula: C20H17N3O5

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.957
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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