COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL403096
Chemical Name: (2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=C/C(=O)c1nn(cc1Cl)C

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Molecular Weight: 441.87
Empirical Formula: C22H20ClN3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.159
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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