COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL390869
Chemical Name: 6-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCc1nnc2n1nc(s2)CCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 321.36
Empirical Formula: C12H15N7O2S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 2.506
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 134
Number of rings: 3

     

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