COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL401562
Chemical Name: (2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Smiles: CCn1nccc1C(=O)/C=C/c1ccc(o1)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 371.78
Empirical Formula: C18H14ClN3O4

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 3.768
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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