COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577833
Chemical Name: (2Z)-1-(3,5-dichlorophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: Clc1cc(Cl)cc(c1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 390.27
Empirical Formula: C20H17Cl2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 4

     

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