COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593805
Chemical Name: N-(prop-2-en-1-yl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: C=CCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 304.41
Empirical Formula: C16H20N2O2S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 2.431
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 65
Number of rings: 3

     

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