COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK310604
Chemical Name: (2E)-3-{3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-3-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1COc1ccc(cc1Cl)[N+](=O)[O-])/C=C/C(=O)c1ccn(n1)CC

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Molecular Weight: 441.87
Empirical Formula: C22H20ClN3O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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