COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589433
Chemical Name: 7-methyl-8-(thiophen-2-ylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1cccs1

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Molecular Weight: 365.47
Empirical Formula: C17H19NO4S2

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 3.486
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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