COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK734505
Chemical Name: 3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one
Smiles: Nc1n(Cc2ccccc2)c(=O)c2c(c1c1cccs1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 377.42
Empirical Formula: C20H15N3O3S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 3.829
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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