COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK853229
Chemical Name: (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/C=C/c2ccccc2)/Oc2c1ccc(c2C[NH+]1CCCC1)[O-]

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Molecular Weight: 347.41
Empirical Formula: C22H21NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.736
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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