COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584763
Chemical Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc(cc(c1O)Br)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

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Molecular Weight: 494.34
Empirical Formula: C24H20BrN3O4

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 4.425
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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