COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160405
Chemical Name: (4E)-4-{[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1n1c(C)cc(c1C)/C=C/1\C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 430.46
Empirical Formula: C24H22N4O4

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 4.846
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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