COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552674
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Smiles: CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 492.6
Empirical Formula: C25H28N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.898
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 3

     

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