COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359729
Chemical Name: 2-ethyl-5-nitro-6-(pyrrolidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: CCn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)N1CCCC1

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Molecular Weight: 339.35
Empirical Formula: C18H17N3O4

Physical State: Dry powder
Available Amount: 439 mg

Lipinsky:
logP: 2.844
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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