COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576478
Chemical Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1)C)CC

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Molecular Weight: 489.66
Empirical Formula: C24H31N3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.401
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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