COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK756926
Chemical Name: (3Z,5E)-3,5-bis(3-nitrobenzylidene)-1-propylpiperidin-4-one
Smiles: CCCN1C/C(=C/c2cccc(c2)[N+](=O)[O-])/C(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C1

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Molecular Weight: 407.43
Empirical Formula: C22H21N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.264
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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