COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370744
Chemical Name: 4-O-beta-D-galactopyranosyl-N-(3-nitrophenyl)-alpha-D-glucopyranosylamine
Smiles: OC[C@H]1O[C@H](Nc2cccc(c2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O

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Molecular Weight: 462.41
Empirical Formula: C18H26N2O12

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: -2.013
Rotatable bonds: 2
H-donors: 8
H-acceptors: 12
PSA: 227
Number of rings: 3

     

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