COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295387
Chemical Name: (4E,4'E)-4,4'-[piperazine-1,4-diyldi(E)methylylidene]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]
Smiles: Cc1ccc(cc1)N1N=C(/C(=C\N2CCN(CC2)/C=C/2\C(=NN(C2=O)c2ccc(cc2)C)C)/C1=O)C

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Molecular Weight: 482.59
Empirical Formula: C28H30N6O2

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.225
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 71
Number of rings: 5

     

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