COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294753
Chemical Name: 6-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)OC

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Molecular Weight: 407.38
Empirical Formula: C21H17N3O6

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 2.039
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 4

     

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