COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295573
Chemical Name: 2-(3-hydroxypropyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 345.27
Empirical Formula: C15H11N3O7

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: -0.155
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 149
Number of rings: 3

     

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