COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK619690
Chemical Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O)CCCC

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Molecular Weight: 399.55
Empirical Formula: C23H29NO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.193
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 3

     

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