COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295200
Chemical Name: (4E)-2-(3-chlorophenyl)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1N/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)C)[N+](=O)[O-]

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Molecular Weight: 386.79
Empirical Formula: C18H15ClN4O4

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.468
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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