COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421885
Chemical Name: 5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-hydroxy-3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Smiles: COc1cccc(c1)N1CCN(CC1)Cc1c(O)occ(c1=O)CN1CCc2c(C1)cccc2

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Molecular Weight: 461.56
Empirical Formula: C27H31N3O4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.334
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 65
Number of rings: 5

     

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