COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572771
Chemical Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1ccc(c(c1)C(F)(F)F)Cl

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Molecular Weight: 454.88
Empirical Formula: C22H22ClF3N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.23
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 50
Number of rings: 4

     

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