COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK571652
Chemical Name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 417.48
Empirical Formula: C21H23NO6S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 4.597
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 82
Number of rings: 5

     

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