COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623771
Chemical Name: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\C=C\c1ccccc1OC)/C2=O)CCOC

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Molecular Weight: 439.51
Empirical Formula: C25H29NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.909
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 3

     

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