COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852348
Chemical Name: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/C2=O)CCOC

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Molecular Weight: 389.47
Empirical Formula: C20H23NO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.925
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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