COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576920
Chemical Name: 4-imino-2-[4-(methylsulfanyl)phenyl]-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)c1ccc(cc1)SC

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Molecular Weight: 415.52
Empirical Formula: C24H21N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.213
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 5

     

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