COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550673
Chemical Name: methyl3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O)c1cc(OC)c(c(c1)OC)O

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Molecular Weight: 495.53
Empirical Formula: C27H29NO8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.124
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 114
Number of rings: 4

     

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