COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150169
Chemical Name: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl4-methylbenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 494.57
Empirical Formula: C27H26O7S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 2.956
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 104
Number of rings: 5

     

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