COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574486
Chemical Name: (2E)-1-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-3-(thiophen-2-yl)prop-2-en-1-one
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCCCO1)/C=C/c1cccs1

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Molecular Weight: 353.44
Empirical Formula: C20H19NO3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.947
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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