COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012009
Chemical Name: 1-{(2E)-3-[3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-yl}piperidine
Smiles: CSc1nnc(n1/C=C/CN1CCCCC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 359.45
Empirical Formula: C17H21N5O2S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 4.678
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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