COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398358
Chemical Name: prop-2-yn-1-yl3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-[(2-nitrophenyl)amino]-4-oxobutanoate
Smiles: C#CCOC(=O)CC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2c(C1)cccc2

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Molecular Weight: 407.43
Empirical Formula: C22H21N3O5

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 4.739
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 3

     

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