COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573682
Chemical Name: 1-{4-[(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl]phenyl}ethanone
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc(cc1)C(=O)C

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Molecular Weight: 401.48
Empirical Formula: C21H23NO5S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 3.787
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 4

     

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