COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380124
Chemical Name: 6-[(4-bromo-2,3-dimethylphenyl)amino]-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Nc1ccc(c(c1C)C)Br

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Molecular Weight: 484.31
Empirical Formula: C22H18BrN3O5

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 3.826
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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