COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012007
Chemical Name: 3-(methylsulfanyl)-5-(4-nitrophenyl)-4-[(1E)-2-(pyrrolidin-1-yl)prop-1-en-1-yl]-4H-1,2,4-triazole
Smiles: CSc1nnc(n1/C=C(/N1CCCC1)\C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 345.43
Empirical Formula: C16H19N5O2S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.604
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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