COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590532
Chemical Name: 8-[(3-nitrophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 390.42
Empirical Formula: C18H18N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.62
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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