COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033737
Chemical Name: (2Z)-7-{[butyl(methyl)amino]methyl}-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: CCCCN(Cc1c(O)ccc2c1O/C(=C\c1cccs1)/C2=O)C

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Saltdata: HCl
Molecular Weight: 343.45
Empirical Formula: C19H21NO3S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.139
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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