COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL496050
Chemical Name: 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-7-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Smiles: OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)S(=O)(=O)C)O)OC

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Molecular Weight: 504.52
Empirical Formula: C20H28N2O11S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.909
Rotatable bonds: 8
H-donors: 5
H-acceptors: 11
PSA: 194
Number of rings: 4

     

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