COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596953
Chemical Name: 4-imino-2-(thiophen-2-yl)-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)c1cccs1

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Molecular Weight: 375.45
Empirical Formula: C21H17N3O2S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 3.542
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 5

     

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