COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294710
Chemical Name: 2-(4-bromophenyl)-6-[(3-hydroxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccc(cc1)Br)[N+](=O)[O-]

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Molecular Weight: 470.28
Empirical Formula: C21H16BrN3O5

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 2.646
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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