COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629191
Chemical Name: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O)CC(C)C)C

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Molecular Weight: 471.98
Empirical Formula: C26H30ClNO5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.45
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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