COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295148
Chemical Name: 2-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c2CCCCc2sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 448.42
Empirical Formula: C21H12N4O6S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 2.998
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 181
Number of rings: 5

     

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