COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK305312
Chemical Name: methyl2-{[({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3)C)/C(=O)N2CC(C)C)sc2c1CCCCC2

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Molecular Weight: 529.68
Empirical Formula: C25H31N5O4S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.758
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 159
Number of rings: 4

     

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