COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581828
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

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Molecular Weight: 416.3
Empirical Formula: C22H19Cl2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.048
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 4

     

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