COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294732
Chemical Name: 6-bromo-2-(5-chloro-2-hydroxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)n1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Br)O

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Molecular Weight: 447.63
Empirical Formula: C18H8BrClN2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.446
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 4

     

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