COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000358
Chemical Name: 5-(4-tert-butylphenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(cc1)C(C)(C)C

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Molecular Weight: 407.5
Empirical Formula: C21H21N5O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.05
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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