COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575569
Chemical Name: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(C)C)/C2=O)CCOC

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Molecular Weight: 425.52
Empirical Formula: C25H31NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.448
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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