COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK571977
Chemical Name: 2-(1,3-benzodioxol-5-yl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc2c(c1)OCO2

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Molecular Weight: 413.43
Empirical Formula: C24H19N3O4

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 3.769
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 6

     

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