COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294707
Chemical Name: 2-(2,6-dimethylphenyl)-6-[(3-hydroxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1c(C)cccc1C)[N+](=O)[O-]

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Molecular Weight: 419.44
Empirical Formula: C23H21N3O5

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 2.794
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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