COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055996
Chemical Name: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl4-chlorobenzenesulfonate
Smiles: Clc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 484.96
Empirical Formula: C25H21ClO6S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 3.788
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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