COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588260
Chemical Name: N-[4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 402.47
Empirical Formula: C20H22N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.963
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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