COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL250223
Chemical Name: 4-[(4-benzylpiperidin-1-yl)carbonyl]-2-(2-methoxyethyl)isoquinolin-1(2H)-one
Smiles: COCCn1cc(C(=O)N2CCC(CC2)Cc2ccccc2)c2c(c1=O)cccc2

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Molecular Weight: 404.51
Empirical Formula: C25H28N2O3

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 3.657
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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