COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620227
Chemical Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)C

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Molecular Weight: 418.49
Empirical Formula: C25H26N2O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.116
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 70
Number of rings: 5

     

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