COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551364
Chemical Name: methyl3-[6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate
Smiles: COC(=O)CC(c1cc(OC)c(cc1OC)OC)c1oc(CN2CCc3c(C2)cccc3)cc(=O)c1O

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Molecular Weight: 509.56
Empirical Formula: C28H31NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.153
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 103
Number of rings: 4

     

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