COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313856
Chemical Name: methyl1-({[4-({(E)-[1-(3-nitrophenyl)-1H-pyrrol-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/c1cccn1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 452.45
Empirical Formula: C19H16N8O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.602
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 163
Number of rings: 4

     

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