COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK314298
Chemical Name: methyl1-{[(4-{[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Smiles: COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 457.43
Empirical Formula: C17H15N9O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.006
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 189
Number of rings: 4

     

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