COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591344
Chemical Name: (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2,3,5-trichlorophenyl)methanone
Smiles: Clc1cc(Cl)c(c(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1)Cl

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Molecular Weight: 424.71
Empirical Formula: C20H16Cl3NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.573
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 4

     

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