COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK992630
Chemical Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Oc1ccc2c(c1CN1CCCCCC1)O/C(=C\c1sccc1C)/C2=O

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Molecular Weight: 369.48
Empirical Formula: C21H23NO3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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