COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523458
Chemical Name: 1-(ethylsulfonyl)-N-[(4-methoxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]piperidine-4-carboxamide
Smiles: COc1c2C(=O)N(C)CCc2c(c2c1OCO2)CNC(=O)C1CCN(CC1)S(=O)(=O)CC

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Molecular Weight: 467.54
Empirical Formula: C21H29N3O7S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 0.226
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 122
Number of rings: 4

     

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