COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000415
Chemical Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2c(C)c([N+](=O)[O-])c(c(c2C)[N+](=O)[O-])C(C)(C)C)C)cc2c1OCO2

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Molecular Weight: 513.55
Empirical Formula: C26H31N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.733
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 139
Number of rings: 4

     

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