COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692267
Chemical Name: 2-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(nn(c1=S)[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1NC(=O)C)O)O)c1ccncc1

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Molecular Weight: 421.48
Empirical Formula: C18H23N5O5S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: -1.648
Rotatable bonds: 3
H-donors: 4
H-acceptors: 5
PSA: 162
Number of rings: 3

     

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