COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577779
Chemical Name: (1Z)-3-(2,4-dichlorophenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)butan-2-one
Smiles: Clc1ccc(c(c1)Cl)OC(C(=O)/C=C/1\NCCc2c1cc1OCOc1c2)C

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Molecular Weight: 406.26
Empirical Formula: C20H17Cl2NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.1
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 4

     

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