COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584672
Chemical Name: 8-[(2,5-dichlorophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Clc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1)Cl

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Molecular Weight: 414.31
Empirical Formula: C18H17Cl2NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.642
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 4

     

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