COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK853318
Chemical Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)C

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Molecular Weight: 379.46
Empirical Formula: C22H25N3O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.422
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 4

     

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