COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK850010
Chemical Name: (2Z)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/C2=O)C

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Molecular Weight: 343.45
Empirical Formula: C19H21NO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.139
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 3

     

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