COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516389
Chemical Name: (2Z)-3-oxo-7-(piperidinium-1-ylmethyl)-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[O-])OC

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Molecular Weight: 425.48
Empirical Formula: C24H27NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.269
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 4

     

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