COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515144
Chemical Name: (2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-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+]1CCC(CC1)C)[O-])OC

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Molecular Weight: 439.51
Empirical Formula: C25H29NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.761
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 4

     

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