COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313827
Chemical Name: N-[(E)-(2,4-dimethoxyphenyl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1ccc(c(c1)OC)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 431.48
Empirical Formula: C18H21N7O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.779
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 3

     

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