COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294680
Chemical Name: 2-[(3-chlorophenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Clc1cccc(c1)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 412.75
Empirical Formula: C18H9ClN4O6

Physical State: Dry powder
Available Amount: 1138 mg

Lipinsky:
logP: 3.248
Rotatable bonds: 0
H-donors: 1
H-acceptors: 6
PSA: 141
Number of rings: 4

     

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