COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK619923
Chemical Name: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC(C)C)CC(C)C)[O-]

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Molecular Weight: 409.53
Empirical Formula: C25H31NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.526
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 3

     

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