COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL352658
Chemical Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]-4-oxobutanoicacid
Smiles: COc1cc2CCN(C(c2cc1OC)c1cccc(c1)[N+](=O)[O-])C(=O)CCC(=O)O

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Molecular Weight: 414.41
Empirical Formula: C21H22N2O7

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.442
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 121
Number of rings: 3

     

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