COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618929
Chemical Name: (2E)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+](CC(C)C)CC(C)C)[O-])cn2CC

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Molecular Weight: 476.62
Empirical Formula: C29H36N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.319
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 4

     

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