COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599004
Chemical Name: 2-(4-bromo-3-nitrophenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(c(c1)[N+](=O)[O-])Br

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Molecular Weight: 465.26
Empirical Formula: C21H13BrN4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.668
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 5

     

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