COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852402
Chemical Name: (2Z)-2-(4-nitrobenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCCCC1)[O-]

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Molecular Weight: 380.4
Empirical Formula: C21H20N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.285
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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