COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574549
Chemical Name: 1-[4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)phenyl]ethanone
Smiles: CC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 387.46
Empirical Formula: C20H21NO5S

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 3.295
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 4

     

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