COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434038
Chemical Name: 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)CCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 460.47
Empirical Formula: C18H20N8O5S

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 3.52
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 194
Number of rings: 3

     

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