COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847025
Chemical Name: 1-[2-(diethylammonio)ethyl]-5-(2-nitrophenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-3-olate
Smiles: CC[NH+](CCN1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1)[O-])CC

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Molecular Weight: 449.51
Empirical Formula: C25H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.604
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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