COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK733705
Chemical Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl(1E)-N-(2,4-dinitrophenyl)ethanehydrazonothioate
Smiles: C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1

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Molecular Weight: 587.66
Empirical Formula: C29H29N7O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.427
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 181
Number of rings: 5

     

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