COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534808
Chemical Name: (3S)-2-({[(2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
Smiles: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)OC

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Molecular Weight: 545.55
Empirical Formula: C30H27NO9

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.631
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 120
Number of rings: 5

     

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