COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL392460
Chemical Name: N-[(E)-(4-bromo-5-ethylthiophen-2-yl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: CCc1sc(cc1Br)/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 484.4
Empirical Formula: C16H18BrN7O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.562
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 160
Number of rings: 3

     

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