COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK854664
Chemical Name: (2Z)-2-[4-(methoxycarbonyl)benzylidene]-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCC1)[O-]

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Molecular Weight: 393.44
Empirical Formula: C23H23NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.379
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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