COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK853529
Chemical Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O)C

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Molecular Weight: 468.55
Empirical Formula: C26H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.254
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 84
Number of rings: 4

     

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