COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598879
Chemical Name: 2-(5-cyano-1,2-dimethyl-1H-pyrrol-3-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(=N)n2CCc3c(c2cc1c1cc(n(c1C)C)C#N)cc1c(c3)OCCCO1

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Molecular Weight: 411.46
Empirical Formula: C24H21N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.716
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 5

     

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