COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565357
Chemical Name: 6,7-dichloro-3-ethyl-5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
Smiles: CCC1=C(O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)c(O)c(c(c2O)Cl)Cl

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Molecular Weight: 633.39
Empirical Formula: C26H26Cl2O14

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 6.369
Rotatable bonds: 9
H-donors: 2
H-acceptors: 14
PSA: 198
Number of rings: 3

     

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