COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593073
Chemical Name: 2-[4-(dimethylamino)phenyl]-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)c1ccc(cc1)N(C)C

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Molecular Weight: 412.49
Empirical Formula: C25H24N4O2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.233
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 72
Number of rings: 5

     

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