COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537330
Chemical Name: 3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4-tri-O-acetyl-1-thio-beta-D-xylopyranoside
Smiles: COC1=C(S[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 478.48
Empirical Formula: C22H22O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.401
Rotatable bonds: 5
H-donors: 0
H-acceptors: 10
PSA: 156
Number of rings: 3

     

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