COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002703
Chemical Name: (4E)-4-(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}benzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)C

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Molecular Weight: 454.57
Empirical Formula: C29H30N2O3

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 6.805
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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