COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574209
Chemical Name: 8-[(2,3,5,6-tetramethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Cc1cc(C)c(c(c1C)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1)C

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Molecular Weight: 401.53
Empirical Formula: C22H27NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.237
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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