COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623082
Chemical Name: (2E)-7-(azepanium-1-ylmethyl)-2-[(5-methoxy-1-methyl-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+]1CCCCCC1)[O-])cn2C

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Molecular Weight: 432.52
Empirical Formula: C26H28N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.307
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 5

     

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