COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582523
Chemical Name: 7-methyl-8-[(2,3,5,6-tetramethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1c(C)c(C)cc(c1C)C

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Molecular Weight: 415.55
Empirical Formula: C23H29NO4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.729
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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