COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198895
Chemical Name: 4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl4-methylbenzenesulfonate
Smiles: Clc1ccc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)OS(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 498.98
Empirical Formula: C26H23ClO6S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.222
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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