COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL398047
Chemical Name: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(2-methoxyphenyl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1ccccc1/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 401.45
Empirical Formula: C17H19N7O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.774
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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