COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL146381
Chemical Name: 1,5-anhydro-1-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]hexitol
Smiles: OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1

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Molecular Weight: 418.4
Empirical Formula: C21H22O9

Physical State: Dry powder
Available Amount: 1015 mg

Lipinsky:
logP: 1.858
Rotatable bonds: 10
H-donors: 7
H-acceptors: 9
PSA: 167
Number of rings: 4

     

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