COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852743
Chemical Name: (2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/C2=O

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Molecular Weight: 351.41
Empirical Formula: C20H21N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.181
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 4

     

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