COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550604
Chemical Name: (4Z)-4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cn(nc1c1ccccc1)C(=O)C)c1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 436.81
Empirical Formula: C21H13ClN4O5

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.374
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 119
Number of rings: 4

     

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