COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526762
Chemical Name: 4-methoxy-6-methyl-5-(2,4,6-trinitrobenzyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2Cc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)cc2c1OCO2

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Molecular Weight: 446.37
Empirical Formula: C19H18N4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.185
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 168
Number of rings: 4

     

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