COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577367
Chemical Name: 8-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

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Molecular Weight: 447.86
Empirical Formula: C19H17ClF3NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.295
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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