COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583524
Chemical Name: N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1n1ncnc1)CN1CCc2c(C1C)cc1c(c2)OCCCO1

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Molecular Weight: 453.93
Empirical Formula: C23H24ClN5O3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.835
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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