COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856499
Chemical Name: (2Z)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O

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Molecular Weight: 383.51
Empirical Formula: C22H25NO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.765
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 4

     

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